 Entering Gaussian System, Link 0=g16
 Input=13_p-fenchone_STD_M11-def2SVPDr.in
 Output=13_p-fenchone_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/13_p-fenchone_STD/Gau-33189.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/13_p-fenchone_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     33191.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=13_p-fenchone_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 19:26:16 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "13_p-fenchone_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.256274000000     -0.193232000000      0.100473000000
  C                                                 1.349487000000      1.010756000000     -0.889322000000
  C                                                -0.013711000000     -0.924147000000     -0.323910000000
  O                                                -0.081470000000     -1.984998000000     -0.891809000000
  C                                                -1.211573000000     -0.047150000000      0.092965000000
  C                                                -0.469997000000      1.179899000000      0.694048000000
  C                                                 0.233116000000      1.981577000000     -0.416911000000
  C                                                 2.489674000000     -1.059953000000      0.182168000000
  H                                                 1.229251000000      0.690503000000     -1.924862000000
  H                                                 2.339697000000      1.460602000000     -0.802597000000
  C                                                -2.035714000000     -0.783936000000      1.160201000000
  C                                                -2.115356000000      0.237323000000     -1.107895000000
  C                                                 0.749179000000      0.522371000000      1.370549000000
  H                                                -1.107153000000      1.783001000000      1.340408000000
  H                                                 0.663977000000      2.891365000000      0.002850000000
  H                                                -0.435453000000      2.286350000000     -1.218901000000
  H                                                 2.359792000000     -1.859595000000      0.913309000000
  H                                                 3.360905000000     -0.468217000000      0.470414000000
  H                                                 2.694356000000     -1.528857000000     -0.781354000000
  H                                                -1.463296000000     -0.990162000000      2.063972000000
  H                                                -2.391668000000     -1.735344000000      0.764373000000
  H                                                -2.901737000000     -0.179918000000      1.439283000000
  H                                                -1.570895000000      0.659830000000     -1.951248000000
  H                                                -2.910306000000      0.933429000000     -0.830639000000
  H                                                -2.574732000000     -0.690743000000     -1.448265000000
  H                                                 0.501923000000     -0.165536000000      2.178308000000
  H                                                 1.468832000000      1.252232000000      1.745219000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 19:26:16 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.561400   0.000000
     3  C    1.525516   2.433485   0.000000
     4  O    2.446346   3.319968   1.205199   0.000000
     5  C    2.472178   2.939912   1.542006   2.449932   0.000000
     6  C    2.284257   2.417890   2.381480   3.561245   1.554633
     7  C    2.458522   1.553045   2.917671   4.007270   2.542210
     8  C    1.509687   2.595371   2.557635   2.935969   3.838353
     9  H    2.209909   1.090579   2.591350   3.153331   3.251673
    10  H    2.173593   1.091054   3.384479   4.212145   3.960665
    11  C    3.508438   4.345233   2.512119   3.077721   1.536572
    12  C    3.607412   3.556840   2.525976   3.020281   1.529645
    13  C    1.543479   2.388704   2.354911   3.477807   2.408552
    14  H    3.320952   3.406338   3.360687   4.498070   2.217311
    15  H    3.142465   2.191480   3.888980   5.013484   3.487217
    16  H    3.278874   2.218507   3.359489   4.298454   2.787217
    17  H    2.157596   3.536822   2.835364   3.038739   4.088101
    18  H    2.154517   2.842894   3.496692   4.000778   4.607312
    19  H    2.151649   2.875754   2.812216   2.815222   4.268041
    20  H    3.447678   4.542837   2.794215   3.411126   2.199433
    21  H    4.015763   4.926663   2.738080   2.853468   2.166428
    22  H    4.368254   4.991294   3.464595   4.079977   2.164914
    23  H    3.595853   3.127214   2.753549   3.214951   2.192656
    24  H    4.415509   4.260899   3.478164   4.064883   2.168011
    25  H    4.162056   4.313584   2.806685   2.863755   2.155877
    26  H    2.210704   3.392990   2.665045   3.616132   2.701618
    27  H    2.199940   2.648275   3.349008   4.453876   3.406304
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.539898   0.000000
     8  C    3.746813   3.834300   0.000000
     9  H    3.160007   2.221052   3.015350   0.000000
    10  H    3.195797   2.204054   2.710250   1.756594   0.000000
    11  C    2.554489   3.909339   4.638089   4.727746   5.294785
    12  C    2.615847   3.005861   4.955148   3.472636   4.630023
    13  C    1.541553   2.364448   2.635398   3.334437   2.851769
    14  H    1.089716   2.218992   4.728749   4.161048   4.071509
    15  H    2.166280   1.090667   4.356402   2.979833   2.346032
    16  H    2.210159   1.087685   4.660162   2.411711   2.925171
    17  H    4.158642   4.587683   1.091267   3.979490   3.737438
    18  H    4.176375   4.070860   1.091916   3.409388   2.526611
    19  H    4.418970   4.302751   1.090936   2.894771   3.010498
    20  H    2.751817   4.226562   4.378588   5.097572   5.355952
    21  H    3.492335   4.701109   4.962118   5.121306   5.920750
    22  H    2.884066   4.236133   5.605543   5.398163   5.932113
    23  H    2.912051   2.712132   4.898708   2.800438   4.153717
    24  H    2.887997   3.339294   5.844582   4.288621   5.276479
    25  H    3.538180   4.011109   5.333183   4.074957   5.403405
    26  H    2.226623   3.378981   2.955624   4.254152   3.861027
    27  H    2.206638   2.594946   2.971775   3.720542   2.700591
                   11         12         13         14         15
    11  C    0.000000
    12  C    2.488689   0.000000
    13  C    3.083231   3.798618   0.000000
    14  H    2.735665   3.065906   2.244118   0.000000
    15  H    4.704852   4.000298   2.736785   2.480813   0.000000
    16  H    4.200907   2.651963   3.349661   2.693437   1.751418
    17  H    4.531939   5.339408   2.911512   5.046843   5.126046
    18  H    5.449677   5.742672   2.934727   5.078229   4.333455
    19  H    5.167021   5.134136   3.552736   5.470078   4.927045
    20  H    1.089492   3.463039   2.768328   2.888047   4.882598
    21  H    1.090211   2.733706   3.915309   3.789531   5.596724
    22  H    1.092117   2.698259   3.718484   2.661458   4.920410
    23  H    3.461449   1.089125   4.054130   3.508785   3.713879
    24  H    2.770866   1.092419   4.290225   2.947300   4.159774
    25  H    2.665205   1.090039   4.523908   4.006232   5.042467
    26  H    2.803313   4.220376   1.089416   2.662330   3.755466
    27  H    4.095127   4.692196   1.091318   2.661069   2.523965
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.435860   0.000000
    18  H    4.985354   1.770400   0.000000
    19  H    4.954085   1.758751   1.770923   0.000000
    20  H    4.750710   4.086067   5.107325   5.066768   0.000000
    21  H    4.892257   4.755417   5.897806   5.319732   1.762421
    22  H    4.385314   5.548121   6.343698   6.169856   1.765175
    23  H    2.114504   5.477544   5.608885   4.934711   4.342355
    24  H    2.847111   6.214199   6.556328   6.121888   3.764680
    25  H    3.673174   5.593994   6.242006   5.376848   3.696045
    26  H    4.293186   2.814558   3.343994   3.927468   2.134284
    27  H    3.671745   3.342058   2.857449   3.952207   3.705038
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.770600   0.000000
    23  H    3.712832   3.737916   0.000000
    24  H    3.152047   2.528272   1.767666   0.000000
    25  H    2.453665   2.950561   1.756339   1.769748   0.000000
    26  H    3.582789   3.482997   4.693723   4.680256   4.784734
    27  H    4.979069   4.609395   4.822318   5.090533   5.506714
                   26         27
    26  H    0.000000
    27  H    1.769900   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5609830           1.1701666           0.9642173
 Leave Link  202 at Thu Jul 22 19:26:16 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      5      6      7      8     11     12     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       682.9977865711 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul 22 19:26:17 2021, MaxMem= 17179869184 cpu:               6.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  9.41D-06  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Jul 22 19:26:17 2021, MaxMem= 17179869184 cpu:               4.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 19:26:17 2021, MaxMem= 17179869184 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "13_p-fenchone_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 19:26:18 2021, MaxMem= 17179869184 cpu:               4.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179582699 LenY= 17179443129
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.295606396703    
 DIIS: error= 4.02D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.295606396703     IErMin= 1 ErrMin= 4.02D-03
 ErrMax= 4.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-02 BMatP= 1.73D-02
 IDIUse=3 WtCom= 9.60D-01 WtEn= 4.02D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 GapD=    0.409 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.07D-02 MaxDP=9.56D-01              OVMax= 1.84D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.90D-03    CP:  1.17D+00
 E= -465.313461350633     Delta-E=       -0.017854953930 Rises=F Damp=F
 DIIS: error= 1.81D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.313461350633     IErMin= 2 ErrMin= 1.81D-03
 ErrMax= 1.81D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.73D-04 BMatP= 1.73D-02
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.81D-02
 Coeff-Com: -0.227D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.223D-01 0.102D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=2.28D-03 MaxDP=2.45D-01 DE=-1.79D-02 OVMax= 1.00D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.23D-03    CP:  1.21D+00  1.16D+00
 E= -465.313869705536     Delta-E=       -0.000408354902 Rises=F Damp=F
 DIIS: error= 1.73D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.313869705536     IErMin= 3 ErrMin= 1.73D-03
 ErrMax= 1.73D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.41D-04 BMatP= 7.73D-04
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.73D-02
 Coeff-Com: -0.606D-01 0.547D+00 0.514D+00
 Coeff-En:   0.000D+00 0.249D+00 0.751D+00
 Coeff:     -0.596D-01 0.542D+00 0.518D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=2.37D-04 MaxDP=2.30D-02 DE=-4.08D-04 OVMax= 4.71D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.64D-04    CP:  1.22D+00  1.17D+00  9.98D-01
 E= -465.314428155273     Delta-E=       -0.000558449738 Rises=F Damp=F
 DIIS: error= 2.76D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.314428155273     IErMin= 4 ErrMin= 2.76D-04
 ErrMax= 2.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-05 BMatP= 7.73D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.76D-03
 Coeff-Com: -0.138D-01 0.323D-01 0.148D+00 0.834D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.137D-01 0.322D-01 0.147D+00 0.834D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=9.61D-05 MaxDP=7.47D-03 DE=-5.58D-04 OVMax= 1.13D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.75D-05    CP:  1.22D+00  1.18D+00  1.05D+00  1.00D+00
 E= -465.314451056448     Delta-E=       -0.000022901175 Rises=F Damp=F
 DIIS: error= 5.75D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.314451056448     IErMin= 5 ErrMin= 5.75D-05
 ErrMax= 5.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-06 BMatP= 2.56D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.144D-02-0.397D-01-0.546D-02 0.280D+00 0.763D+00
 Coeff:      0.144D-02-0.397D-01-0.546D-02 0.280D+00 0.763D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=4.74D-05 MaxDP=3.75D-03 DE=-2.29D-05 OVMax= 3.66D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.49D-05    CP:  1.22D+00  1.18D+00  1.07D+00  1.06D+00  8.76D-01
 E= -465.314453945473     Delta-E=       -0.000002889025 Rises=F Damp=F
 DIIS: error= 1.02D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.314453945473     IErMin= 6 ErrMin= 1.02D-05
 ErrMax= 1.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-07 BMatP= 2.66D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-02-0.115D-01-0.119D-01 0.112D-01 0.185D+00 0.826D+00
 Coeff:      0.113D-02-0.115D-01-0.119D-01 0.112D-01 0.185D+00 0.826D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.01D-05 MaxDP=5.97D-04 DE=-2.89D-06 OVMax= 8.56D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.39D-06    CP:  1.22D+00  1.18D+00  1.07D+00  1.05D+00  9.49D-01
                    CP:  9.68D-01
 E= -465.314454095375     Delta-E=       -0.000000149902 Rises=F Damp=F
 DIIS: error= 2.43D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.314454095375     IErMin= 7 ErrMin= 2.43D-06
 ErrMax= 2.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.44D-09 BMatP= 1.17D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.213D-03-0.378D-03-0.266D-02-0.151D-01-0.534D-02 0.187D+00
 Coeff-Com:  0.836D+00
 Coeff:      0.213D-03-0.378D-03-0.266D-02-0.151D-01-0.534D-02 0.187D+00
 Coeff:      0.836D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=2.81D-06 MaxDP=8.04D-05 DE=-1.50D-07 OVMax= 3.36D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.79D-06    CP:  1.22D+00  1.18D+00  1.07D+00  1.05D+00  9.57D-01
                    CP:  1.02D+00  1.13D+00
 E= -465.314454109278     Delta-E=       -0.000000013903 Rises=F Damp=F
 DIIS: error= 7.71D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.314454109278     IErMin= 8 ErrMin= 7.71D-07
 ErrMax= 7.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-09 BMatP= 9.44D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.984D-04 0.140D-02 0.993D-03-0.482D-02-0.260D-01-0.676D-01
 Coeff-Com:  0.190D+00 0.906D+00
 Coeff:     -0.984D-04 0.140D-02 0.993D-03-0.482D-02-0.260D-01-0.676D-01
 Coeff:      0.190D+00 0.906D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.13D-06 MaxDP=1.24D-04 DE=-1.39D-08 OVMax= 2.44D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.31D-07    CP:  1.22D+00  1.18D+00  1.07D+00  1.05D+00  9.60D-01
                    CP:  1.03D+00  1.22D+00  1.13D+00
 E= -465.314454111567     Delta-E=       -0.000000002289 Rises=F Damp=F
 DIIS: error= 2.29D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.314454111567     IErMin= 9 ErrMin= 2.29D-07
 ErrMax= 2.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.41D-11 BMatP= 1.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.267D-04 0.229D-03 0.294D-03 0.301D-03-0.343D-02-0.202D-01
 Coeff-Com: -0.294D-01 0.129D+00 0.923D+00
 Coeff:     -0.267D-04 0.229D-03 0.294D-03 0.301D-03-0.343D-02-0.202D-01
 Coeff:     -0.294D-01 0.129D+00 0.923D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=3.48D-07 MaxDP=3.27D-05 DE=-2.29D-09 OVMax= 1.05D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.93D-07    CP:  1.22D+00  1.18D+00  1.07D+00  1.04D+00  9.60D-01
                    CP:  1.03D+00  1.24D+00  1.21D+00  1.14D+00
 E= -465.314454111787     Delta-E=       -0.000000000220 Rises=F Damp=F
 DIIS: error= 9.97D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.314454111787     IErMin=10 ErrMin= 9.97D-08
 ErrMax= 9.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-11 BMatP= 7.41D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.959D-05-0.157D-03-0.967D-04 0.703D-03 0.279D-02 0.563D-02
 Coeff-Com: -0.297D-01-0.102D+00 0.136D+00 0.987D+00
 Coeff:      0.959D-05-0.157D-03-0.967D-04 0.703D-03 0.279D-02 0.563D-02
 Coeff:     -0.297D-01-0.102D+00 0.136D+00 0.987D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.36D-07 MaxDP=1.21D-05 DE=-2.20D-10 OVMax= 7.29D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.28D-08    CP:  1.22D+00  1.18D+00  1.07D+00  1.04D+00  9.60D-01
                    CP:  1.03D+00  1.24D+00  1.23D+00  1.22D+00  1.13D+00
 E= -465.314454111893     Delta-E=       -0.000000000106 Rises=F Damp=F
 DIIS: error= 5.18D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.314454111893     IErMin=11 ErrMin= 5.18D-08
 ErrMax= 5.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-12 BMatP= 1.51D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.581D-05-0.614D-04-0.665D-04 0.635D-04 0.102D-02 0.468D-02
 Coeff-Com:  0.303D-02-0.387D-01-0.156D+00 0.145D+00 0.104D+01
 Coeff:      0.581D-05-0.614D-04-0.665D-04 0.635D-04 0.102D-02 0.468D-02
 Coeff:      0.303D-02-0.387D-01-0.156D+00 0.145D+00 0.104D+01
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=4.63D-08 MaxDP=2.08D-06 DE=-1.06D-10 OVMax= 4.53D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.05D-08    CP:  1.22D+00  1.18D+00  1.07D+00  1.04D+00  9.60D-01
                    CP:  1.03D+00  1.24D+00  1.23D+00  1.24D+00  1.23D+00
                    CP:  1.30D+00
 E= -465.314454111857     Delta-E=        0.000000000036 Rises=F Damp=F
 DIIS: error= 2.40D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.314454111893     IErMin=12 ErrMin= 2.40D-08
 ErrMax= 2.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.68D-13 BMatP= 3.42D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.222D-05 0.388D-04 0.229D-04-0.181D-03-0.722D-03-0.155D-02
 Coeff-Com:  0.764D-02 0.259D-01-0.387D-01-0.250D+00-0.173D-01 0.127D+01
 Coeff:     -0.222D-05 0.388D-04 0.229D-04-0.181D-03-0.722D-03-0.155D-02
 Coeff:      0.764D-02 0.259D-01-0.387D-01-0.250D+00-0.173D-01 0.127D+01
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=3.36D-08 MaxDP=2.94D-06 DE= 3.59D-11 OVMax= 2.96D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.46D-08    CP:  1.22D+00  1.18D+00  1.07D+00  1.04D+00  9.60D-01
                    CP:  1.03D+00  1.24D+00  1.23D+00  1.23D+00  1.27D+00
                    CP:  1.55D+00  1.46D+00
 E= -465.314454111892     Delta-E=       -0.000000000035 Rises=F Damp=F
 DIIS: error= 5.66D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -465.314454111893     IErMin=13 ErrMin= 5.66D-09
 ErrMax= 5.66D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.27D-14 BMatP= 5.68D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.712D-06 0.974D-05 0.851D-05-0.352D-04-0.171D-03-0.533D-03
 Coeff-Com:  0.701D-03 0.665D-02 0.640D-02-0.444D-01-0.833D-01 0.170D+00
 Coeff-Com:  0.945D+00
 Coeff:     -0.712D-06 0.974D-05 0.851D-05-0.352D-04-0.171D-03-0.533D-03
 Coeff:      0.701D-03 0.665D-02 0.640D-02-0.444D-01-0.833D-01 0.170D+00
 Coeff:      0.945D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=5.36D-09 MaxDP=2.66D-07 DE=-3.52D-11 OVMax= 4.46D-07

 SCF Done:  E(RM11) =  -465.314454112     A.U. after   13 cycles
            NFock= 13  Conv=0.54D-08     -V/T= 2.0126
 KE= 4.595231139490D+02 PE=-2.443446228415D+03 EE= 8.356108737827D+02
 Leave Link  502 at Thu Jul 22 19:28:42 2021, MaxMem= 17179869184 cpu:            1724.2 elap:             144.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.61100281D+02

 Leave Link  801 at Thu Jul 22 19:28:43 2021, MaxMem= 17179869184 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8166 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 1.49D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.35D-01 5.73D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.48D-02 2.54D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 2.01D-03 7.12D-03.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 1.63D-04 2.37D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.81D-05 5.85D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 8.73D-07 1.33D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.59D-08 1.98D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 6.89D-10 2.92D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.60D-11 3.83D-07.
      8 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 3.26D-13 8.12D-08.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 6.12D-15 1.18D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.124432D+03
      2  0.319250D+00  0.115143D+03
      3 -0.363690D+00  0.866560D+00  0.105939D+03
 Isotropic polarizability for W=    0.085645      115.17 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.810557D+00 -0.179321D+02  0.105777D+01
      2   0.767616D+01  0.292395D+02 -0.237331D+02
      3  -0.686560D+01 -0.113073D+02  0.226753D+02
      4   0.100268D+02  0.967109D+01  0.268159D+01
      5   0.135218D+02  0.204471D+01 -0.121829D+02
      6   0.205012D+01 -0.913997D+01  0.146942D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.166463D+01  0.802902D+01 -0.129320D+02
      2  -0.753934D+01 -0.349194D+00 -0.355419D+01
      3   0.169925D+02 -0.366158D+01 -0.208537D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.636877D+00  0.145931D+02 -0.260016D+02
      2  -0.124640D+02  0.631473D+00 -0.531735D+01
      3   0.279590D+02 -0.199493D+01  0.540361D-02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.137650D+01  0.143721D+00 -0.770434D+00
      2   0.143721D+00 -0.525019D-01  0.889907D+00
      3  -0.770434D+00  0.889907D+00  0.659066D+00
 OR G Eigenvalues:    -1.7554    -0.3953     1.3808  Iso=     0.2566
 Eigenvectors:
   (1)   0.882196  -0.274425   0.382650
   (2)   0.422135   0.820975  -0.384450
   (3)  -0.208643   0.500691   0.840105
 w=    0.085645 a.u., Optical Rotation Beta=      0.2566 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       79.95 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 6.99D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.72D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 3.52D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 3.29D-02 2.50D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 3.02D-03 1.74D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 6.93D-05 1.60D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.24D-06 8.53D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 2.17D-08 1.21D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 2.41D-10 1.36D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 2.10D-12 1.22D-07.
     18 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 1.93D-14 1.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 5.37D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 5.37D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.65D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.124432D+03  0.319250D+00 -0.363690D+00
      2   0.319250D+00  0.115143D+03  0.866560D+00
      3  -0.363690D+00  0.866560D+00  0.105939D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.166463D+01  0.802902D+01 -0.129320D+02
      2  -0.753934D+01 -0.349194D+00 -0.355419D+01
      3   0.169925D+02 -0.366158D+01 -0.208537D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.810557D+00 -0.179321D+02  0.105777D+01
      2   0.767616D+01  0.292395D+02 -0.237331D+02
      3  -0.686560D+01 -0.113073D+02  0.226753D+02
      4   0.100268D+02  0.967109D+01  0.268159D+01
      5   0.135218D+02  0.204471D+01 -0.121829D+02
      6   0.205012D+01 -0.913997D+01  0.146942D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.356755D+01  0.333249D+01  0.633468D+00  0.363137D+01 -0.766848D+00
      2   0.333249D+01 -0.656418D+00  0.118188D+01 -0.766848D+00 -0.436142D+01
      3   0.633468D+00  0.118188D+01  0.187365D+01  0.148841D+01  0.129111D+01
                 6             7             8             9            10 
      1   0.148841D+01  0.189983D+01  0.229481D+01  0.135035D+01 -0.414918D+01
      2   0.129111D+01  0.229481D+01  0.216594D+01 -0.381531D+01 -0.449015D+01
      3  -0.357916D+01  0.135035D+01 -0.381531D+01 -0.163006D+01 -0.238059D+00
                11            12            13            14            15 
      1  -0.449015D+01 -0.238059D+00 -0.392135D+01  0.597482D+00  0.412834D+00
      2  -0.346023D+00  0.611218D+00  0.597482D+00  0.234340D+01 -0.182735D+01
      3   0.611218D+00  0.633388D+00  0.412834D+00 -0.182735D+01  0.270745D+01
                16            17            18            19            20 
      1  -0.181706D+01 -0.896890D-01 -0.543455D+00 -0.467354D+00 -0.149327D+01
      2  -0.896890D-01 -0.317530D+01  0.277129D+01 -0.149327D+01  0.228093D+01
      3  -0.543455D+00  0.277129D+01  0.404799D+01 -0.821080D+00  0.485345D+00
                21            22            23            24            25 
      1  -0.821080D+00 -0.457895D+01  0.183330D+01  0.303055D+00 -0.229660D+01
      2   0.485345D+00  0.183330D+01  0.452886D+01  0.193924D+01  0.515161D+00
      3  -0.586695D+00  0.303055D+00  0.193924D+01  0.724702D+00 -0.925694D+00
                26            27            28            29            30 
      1   0.515161D+00 -0.925694D+00 -0.572406D-01 -0.232361D+01 -0.104618D+01
      2   0.236389D+01  0.158450D+01 -0.232361D+01 -0.310655D+00 -0.125507D+00
      3   0.158450D+01  0.890782D+00 -0.104618D+01 -0.125507D+00 -0.105247D+00
                31            32            33            34            35 
      1  -0.617084D+00 -0.414330D+00 -0.622355D-01 -0.405132D+00 -0.286047D+00
      2  -0.414330D+00 -0.117823D+02 -0.356621D+01 -0.286047D+00 -0.358013D+01
      3  -0.622355D-01 -0.356621D+01 -0.229923D+01  0.120777D+00 -0.383623D+01
                36            37            38            39            40 
      1   0.120777D+00 -0.283523D+01  0.832630D+00  0.455825D+00  0.231596D+01
      2  -0.383623D+01  0.832630D+00 -0.220443D+01 -0.265655D+01 -0.358164D+01
      3  -0.383267D+01  0.455825D+00 -0.265655D+01  0.259428D+01 -0.409560D+01
                41            42            43            44            45 
      1  -0.358164D+01 -0.409560D+01  0.897041D+00 -0.379379D+01  0.354329D+01
      2  -0.144597D+01 -0.109435D+01 -0.379379D+01 -0.180035D+01  0.183892D+00
      3  -0.109435D+01  0.100271D+01  0.354329D+01  0.183892D+00 -0.431133D+00
                46            47            48            49            50 
      1   0.102892D+01  0.520344D+00 -0.178009D+01  0.514408D+00  0.302399D+01
      2   0.520344D+00  0.207833D+01  0.407389D+01  0.302399D+01  0.799935D+00
      3  -0.178009D+01  0.407389D+01 -0.544642D+00  0.472340D+01  0.115072D+00
                51            52            53            54            55 
      1   0.472340D+01 -0.140720D+01  0.465509D+01 -0.867273D-01  0.153126D+00
      2   0.115072D+00  0.465509D+01  0.921103D+00 -0.201332D+01  0.388138D+00
      3  -0.117368D+01 -0.867273D-01 -0.201332D+01 -0.257131D+00  0.109460D+01
                56            57            58            59            60 
      1   0.388138D+00  0.109460D+01  0.103126D+01 -0.229051D+01 -0.278982D+01
      2  -0.235993D+01 -0.333751D+01 -0.229051D+01 -0.338349D+01 -0.121343D+01
      3  -0.333751D+01  0.178628D+01 -0.278982D+01 -0.121343D+01  0.136217D+00
                61            62            63            64            65 
      1   0.110939D+01 -0.354208D+01  0.237606D+01 -0.227042D+01 -0.370691D+01
      2  -0.354208D+01 -0.174108D+01 -0.791536D+00 -0.370691D+01  0.199061D+00
      3   0.237606D+01 -0.791536D+00  0.335664D+00 -0.783752D+00 -0.149937D+01
                66            67            68            69            70 
      1  -0.783752D+00 -0.403462D+01 -0.745835D+00 -0.162409D+01 -0.505739D+00
      2  -0.149937D+01 -0.745835D+00  0.251485D+01 -0.171419D+01 -0.177079D+01
      3  -0.132366D+01 -0.162409D+01 -0.171419D+01  0.408288D+01 -0.204577D+01
                71            72            73            74            75 
      1  -0.177079D+01 -0.204577D+01  0.395407D+00  0.232121D+00 -0.105199D+01
      2  -0.185675D+01  0.418791D+01  0.232121D+00 -0.190505D+00 -0.470703D-01
      3   0.418791D+01  0.177765D+01 -0.105199D+01 -0.470703D-01 -0.256589D+00
                76            77            78            79            80 
      1  -0.239215D-01  0.248193D+00  0.315592D+00 -0.134152D+01  0.719226D-01
      2   0.248193D+00 -0.744817D+00 -0.892009D+00  0.719226D-01 -0.992029D+00
      3   0.315592D+00 -0.892009D+00 -0.185287D+01  0.109907D+01 -0.497075D+00
                81            82            83            84            85 
      1   0.109907D+01  0.864389D+01  0.328261D+01 -0.115764D+01  0.269565D+01
      2  -0.497075D+00  0.328261D+01  0.255673D+01 -0.702204D+00  0.191048D+01
      3  -0.811628D+01 -0.115764D+01 -0.702204D+00  0.107039D+01 -0.478119D+00
                86            87            88            89            90 
      1   0.191048D+01 -0.478119D+00  0.488764D+00  0.124435D+00  0.111229D+01
      2   0.203318D+01 -0.187950D+00  0.124435D+00  0.665105D+00  0.292434D+00
      3  -0.187950D+00  0.279067D+00  0.111229D+01  0.292434D+00 -0.617294D+00
                91            92            93            94            95 
      1   0.277546D+01 -0.181956D+01 -0.129941D+01 -0.304349D+01  0.314923D+01
      2  -0.181956D+01  0.196162D+01  0.305109D+01  0.314923D+01  0.294079D+01
      3  -0.129941D+01  0.305109D+01 -0.303184D+01  0.401098D+01  0.111654D+01
                96            97            98            99           100 
      1   0.401098D+01 -0.314183D+00  0.327981D+01 -0.337398D+01  0.239363D+01
      2   0.111654D+01  0.327981D+01  0.196894D+01 -0.587913D-01 -0.152586D+01
      3  -0.908335D+00 -0.337398D+01 -0.587913D-01 -0.148212D+01 -0.412859D+00
               101           102           103           104           105 
      1  -0.152586D+01 -0.412859D+00 -0.150978D+01  0.409771D+01  0.306757D+01
      2   0.294679D+01  0.249197D+01  0.409771D+01  0.116470D+01  0.183161D+01
      3   0.249197D+01 -0.329214D+01  0.306757D+01  0.183161D+01 -0.441204D+00
               106           107           108           109           110 
      1  -0.140480D+01  0.352590D+01 -0.337463D+01 -0.518752D+00 -0.303445D+01
      2   0.352590D+01  0.129593D+01 -0.426680D+00 -0.303445D+01 -0.156495D+01
      3  -0.337463D+01 -0.426680D+00  0.111523D+01  0.177599D+00 -0.410578D+01
               111           112           113           114           115 
      1   0.177599D+00 -0.317343D+01 -0.162029D+01 -0.402054D+01  0.560278D+00
      2  -0.410578D+01 -0.162029D+01  0.374422D+00 -0.197926D+01 -0.376369D+01
      3  -0.614249D+00 -0.402054D+01 -0.197926D+01  0.301082D+01 -0.870948D+00
               116           117           118           119           120 
      1  -0.376369D+01 -0.870948D+00 -0.403071D+01  0.197520D+01  0.219141D+01
      2  -0.104352D+01  0.355428D+01  0.197520D+01 -0.230224D+01 -0.155068D+01
      3   0.355428D+01 -0.751217D+00  0.219141D+01 -0.155068D+01 -0.178558D+01
               121           122           123           124           125 
      1   0.166329D+01 -0.226424D+01 -0.157017D+01  0.196392D+01 -0.163762D+01
      2  -0.226424D+01  0.398706D+01  0.194445D+01 -0.163762D+01  0.194890D+01
      3  -0.157017D+01  0.194445D+01  0.193888D+01 -0.201446D+01  0.232937D+01
               126           127           128           129           130 
      1  -0.201446D+01  0.150842D+01  0.184072D+01  0.128008D+00  0.147698D+01
      2   0.232937D+01  0.184072D+01  0.290584D+01  0.626517D+00  0.216741D+01
      3   0.353380D+01  0.128008D+00  0.626517D+00  0.245900D+00  0.409704D+00
               131           132           133           134           135 
      1   0.216741D+01  0.409704D+00  0.524814D+00  0.970702D+00  0.184032D+00
      2   0.941840D+01  0.122992D+01  0.970702D+00  0.283017D+01  0.159458D+01
      3   0.122992D+01  0.105287D+01  0.184032D+00  0.159458D+01  0.956055D+00
               136           137           138           139           140 
      1  -0.296058D+01  0.123167D+01 -0.179309D+01  0.585023D+00 -0.107347D+01
      2   0.123167D+01 -0.175508D+01  0.147446D+01 -0.107347D+01  0.275848D+01
      3  -0.179309D+01  0.147446D+01 -0.194272D+01  0.873113D+00 -0.142627D+01
               141           142           143           144           145 
      1   0.873113D+00 -0.204181D+01  0.126561D+01 -0.192093D+01 -0.397989D-01
      2  -0.142627D+01  0.126561D+01 -0.213671D+01  0.216481D+01 -0.450488D+00
      3   0.129640D+01 -0.192093D+01  0.216481D+01 -0.376266D+01  0.709548D+00
               146           147           148           149           150 
      1  -0.450488D+00  0.709548D+00 -0.108764D+01  0.141542D+01 -0.418801D+00
      2  -0.302785D+00  0.178395D+00  0.141542D+01 -0.552193D+01  0.272530D+01
      3   0.178395D+00 -0.128751D+00 -0.418801D+00  0.272530D+01 -0.258405D+01
               151           152           153           154           155 
      1   0.144681D+01 -0.794894D+00  0.954277D+00  0.838787D+01  0.161987D+01
      2  -0.794894D+00  0.324068D+01 -0.295030D+01  0.161987D+01  0.120477D+01
      3   0.954277D+00 -0.295030D+01  0.300192D+01  0.150830D+01  0.361507D+00
               156           157           158           159           160 
      1   0.150830D+01  0.411959D+01  0.145695D+01  0.770673D+00  0.190696D+01
      2   0.361507D+00  0.145695D+01  0.150950D+01  0.555112D+00  0.414211D+00
      3   0.125659D+01  0.770673D+00  0.555112D+00  0.437499D+00  0.173210D+01
               161           162           163           164           165 
      1   0.414211D+00  0.173210D+01  0.169969D+01 -0.581954D+00 -0.130923D+01
      2   0.637919D+00 -0.104838D+00 -0.581954D+00  0.643006D+00  0.844537D+00
      3  -0.104838D+00  0.754766D+00 -0.130923D+01  0.844537D+00  0.110686D+01
               166           167           168           169           170 
      1  -0.100347D+01  0.144293D+01  0.102961D+01 -0.300226D+01  0.179344D+01
      2   0.144293D+01 -0.263405D+01 -0.145932D+01  0.179344D+01 -0.222432D+01
      3   0.102961D+01 -0.145932D+01 -0.202676D+01  0.222497D+01 -0.249088D+01
               171           172           173           174           175 
      1   0.222497D+01  0.164800D+01  0.211254D+00  0.116185D+01  0.119906D+00
      2  -0.249088D+01  0.211254D+00  0.646426D+00 -0.853328D+00  0.273353D-01
      3  -0.487520D+01  0.116185D+01 -0.853328D+00  0.226488D+01 -0.552858D+00
               176           177           178           179           180 
      1   0.273353D-01 -0.552858D+00  0.155012D+01 -0.270580D+00  0.107487D+01
      2  -0.121287D+01  0.116043D+01 -0.270580D+00  0.117925D+01 -0.155042D+01
      3   0.116043D+01 -0.122593D+01  0.107487D+01 -0.155042D+01  0.633363D+01
               181           182           183           184           185 
      1  -0.249700D+01 -0.174014D+01  0.101179D-02 -0.257814D+01 -0.323677D+01
      2  -0.174014D+01 -0.206117D+01 -0.399060D+00 -0.323677D+01 -0.635049D+01
      3   0.101179D-02 -0.399060D+00 -0.906102D-01 -0.199523D+00 -0.169866D+00
               186           187           188           189           190 
      1  -0.199523D+00 -0.118306D+01 -0.109823D+01 -0.135927D+00 -0.744878D+01
      2  -0.169866D+00 -0.109823D+01 -0.148433D+01 -0.756663D+00  0.160461D+01
      3  -0.113219D+01 -0.135927D+00 -0.756663D+00 -0.660749D+00  0.256445D+01
               191           192           193           194           195 
      1   0.160461D+01  0.256445D+01  0.371216D+01 -0.196376D+01 -0.173775D+01
      2  -0.153080D+01 -0.676703D+00 -0.196376D+01  0.143869D+01  0.595381D+00
      3  -0.676703D+00 -0.165236D+01 -0.173775D+01  0.595381D+00  0.154272D+01
               196           197           198           199           200 
      1   0.166259D+01 -0.777771D+00 -0.142542D+01  0.166871D+01  0.845638D+00
      2  -0.777771D+00  0.180885D+00  0.590242D+00  0.845638D+00  0.490921D+00
      3  -0.142542D+01  0.590242D+00  0.168186D+01 -0.730946D+00 -0.699722D+00
               201           202           203           204           205 
      1  -0.730946D+00  0.998331D+00  0.958987D-01 -0.353129D+00 -0.115188D+01
      2  -0.699722D+00  0.958987D-01  0.126811D+01 -0.145314D+01 -0.669185D+00
      3   0.215159D+01 -0.353129D+00 -0.145314D+01  0.169568D+01  0.832508D+00
               206           207           208           209           210 
      1  -0.669185D+00  0.832508D+00 -0.671983D+01  0.285485D+01 -0.246120D+00
      2  -0.149971D+01  0.173762D+01  0.285485D+01 -0.241723D+01 -0.103338D+00
      3   0.173762D+01 -0.571391D+01 -0.246120D+00 -0.103338D+00 -0.741001D+00
               211           212           213           214           215 
      1   0.386179D+01 -0.313631D+01 -0.100063D-01  0.160866D+01 -0.843645D+00
      2  -0.313631D+01  0.303579D+01 -0.317487D+00 -0.843645D+00  0.504520D+00
      3  -0.100063D-01 -0.317487D+00  0.945062D+00 -0.510127D+00  0.623408D+00
               216           217           218           219           220 
      1  -0.510127D+00 -0.334992D+01 -0.158819D+01 -0.136054D+01 -0.310783D+01
      2   0.623408D+00 -0.158819D+01 -0.179295D+01 -0.103465D+01 -0.268231D+01
      3   0.389551D+00 -0.136054D+01 -0.103465D+01 -0.785016D+00 -0.191448D+01
               221           222           223           224           225 
      1  -0.268231D+01 -0.191448D+01 -0.110617D+01 -0.115338D+01 -0.102872D+01
      2  -0.387721D+01 -0.169210D+01 -0.115338D+01 -0.119093D+01 -0.129348D+01
      3  -0.169210D+01 -0.218033D+01 -0.102872D+01 -0.129348D+01 -0.187978D+01
               226           227           228           229           230 
      1  -0.969932D+00 -0.425828D+00  0.106610D+01 -0.718200D+00  0.716952D-02
      2  -0.425828D+00 -0.138694D+00  0.603933D+00  0.716952D-02 -0.236243D+01
      3   0.106610D+01  0.603933D+00 -0.500984D+00  0.502508D+00  0.232001D+01
               231           232           233           234           235 
      1   0.502508D+00  0.108045D+01  0.396937D+00 -0.195130D+00  0.444405D+01
      2   0.232001D+01  0.396937D+00  0.151278D+01 -0.225745D+01  0.240826D+01
      3  -0.334402D+01 -0.195130D+00 -0.225745D+01  0.630300D+01  0.233880D+01
               236           237           238           239           240 
      1   0.240826D+01  0.233880D+01  0.267216D+01  0.230283D+01  0.191969D+01
      2   0.201943D+01  0.180675D+01  0.230283D+01  0.356082D+01  0.216876D+01
      3   0.180675D+01  0.239827D+01  0.191969D+01  0.216876D+01  0.189480D+01
               241           242           243 
      1   0.127779D+01  0.118337D+01  0.184733D+01
      2   0.118337D+01  0.130914D+01  0.122864D+01
      3   0.184733D+01  0.122864D+01  0.288831D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.356885D+00  0.273121D+01  0.499206D+00  0.709772D+00  0.221604D+01
      2  -0.296135D+01 -0.976740D-01  0.120375D+02  0.189553D+01  0.256427D+01
      3  -0.546708D+01 -0.707507D+01 -0.115840D+00  0.366984D+01  0.620950D+01
                 6             7             8             9            10 
      1  -0.508843D+01  0.153465D+01  0.203259D+01 -0.543989D+00  0.547791D+01
      2  -0.660745D+01 -0.516566D+00 -0.108615D+02 -0.462425D+01 -0.158492D+01
      3  -0.265920D+01 -0.390487D+01 -0.788608D+01  0.521959D+01  0.840430D+01
                11            12            13            14            15 
      1  -0.214117D+01 -0.173779D+01 -0.177766D+01  0.138424D+01 -0.163583D+01
      2  -0.370492D+00  0.335200D+01 -0.425993D+01 -0.190165D+01  0.647099D+01
      3  -0.562863D+01 -0.150006D+01 -0.254540D+01 -0.354468D+01  0.389124D+01
                16            17            18            19            20 
      1  -0.906747D+00  0.464972D+01 -0.874224D+01  0.114850D+00 -0.125279D+01
      2  -0.394792D+01  0.881862D+01  0.106105D+02  0.289091D+01  0.448396D+01
      3  -0.294684D+00  0.887146D+01 -0.514449D+01  0.234380D+01 -0.159376D+00
                21            22            23            24            25 
      1  -0.141214D+01  0.124523D+01 -0.700355D+01  0.580888D+01 -0.109161D+01
      2  -0.662166D+01  0.106043D+02 -0.116497D+01  0.293660D+01 -0.218807D+02
      3  -0.351525D+01  0.808550D+01 -0.355259D+01  0.100967D+01 -0.957890D+01
                26            27            28            29            30 
      1   0.901997D+01  0.861081D+01 -0.190529D+00  0.594038D+00 -0.723305D-01
      2   0.396736D+01  0.203359D+01 -0.125909D+01 -0.196988D+01  0.344094D+01
      3   0.625963D+00 -0.115648D+01 -0.919866D+00  0.130213D+01  0.239247D+01
                31            32            33            34            35 
      1  -0.558202D+00  0.387752D+01 -0.991968D+01 -0.298375D-03  0.202551D-01
      2  -0.910030D+01  0.200140D+00  0.204405D+01  0.194564D+01  0.730731D-01
      3   0.114372D+02  0.250365D+01  0.147862D+01  0.906897D+01  0.100522D+01
                36            37            38            39            40 
      1  -0.680282D+01  0.539389D+00 -0.217492D+01  0.292542D+01 -0.809497D+00
      2   0.704510D+00  0.114520D+01  0.312193D+01  0.158775D+01  0.679258D+01
      3   0.119164D+01 -0.119271D+01 -0.122432D+02 -0.451433D+01 -0.224980D+01
                41            42            43            44            45 
      1  -0.138031D+01 -0.644124D+01  0.202623D+01  0.329023D+01 -0.275280D+00
      2   0.402866D+01 -0.510883D+01 -0.861855D+01  0.930827D+00 -0.160837D+01
      3  -0.145159D+01 -0.473654D+01 -0.642255D+01 -0.161709D+01  0.431204D+00
                46            47            48            49            50 
      1   0.384554D+01 -0.500419D+01  0.543785D+01 -0.564033D+01  0.238411D-01
      2   0.191872D+01 -0.215085D+01  0.563611D+01 -0.459718D+01 -0.152442D+01
      3  -0.254879D+01 -0.216844D+01 -0.601327D+00  0.556891D+01  0.489372D+01
                51            52            53            54            55 
      1  -0.238281D+00  0.595920D+01  0.804141D+01 -0.860838D+00 -0.458947D+01
      2  -0.374519D+01 -0.236421D+01 -0.480296D+01 -0.454767D+00 -0.980769D+00
      3   0.635097D+01  0.549955D+00  0.661867D+01 -0.197843D+01  0.394388D+00
                56            57            58            59            60 
      1   0.121308D+02 -0.485153D+01  0.110468D+02  0.594976D+01 -0.251636D+01
      2   0.493878D+00  0.335922D+01  0.958745D+00 -0.113339D+01 -0.202396D+01
      3  -0.164535D+01  0.338795D+01  0.659990D+01 -0.618196D+01 -0.918144D+01
                61            62            63            64            65 
      1  -0.649368D+01  0.532503D+01 -0.175200D+01 -0.864427D+00 -0.247043D+01
      2  -0.103637D+01 -0.249338D+01  0.242078D+01 -0.102582D+01 -0.410338D+01
      3   0.347078D+01 -0.111892D+02  0.801399D+01  0.150512D+02  0.187209D+01
                66            67            68            69            70 
      1  -0.193195D+01 -0.251282D+01 -0.199018D+01  0.378606D+01 -0.508533D+01
      2  -0.133986D+01 -0.554198D+01 -0.447835D+01  0.117761D+02 -0.962747D+01
      3   0.598481D+01  0.110392D+02 -0.802808D+01  0.721419D+01  0.618179D+01
                71            72            73            74            75 
      1   0.868099D+01  0.304525D+01  0.100146D+01  0.715076D+00  0.459323D+00
      2   0.127806D+02  0.527464D+01 -0.286858D+01 -0.307946D+00 -0.144045D+01
      3   0.690377D+01 -0.106323D+02 -0.749369D+00 -0.133661D+00 -0.896642D+00
                76            77            78            79            80 
      1  -0.174709D+00  0.306906D+01  0.211139D+01 -0.137703D+01  0.498001D+01
      2  -0.675558D+00 -0.173441D+01 -0.351619D+01 -0.265689D+01 -0.959030D+00
      3   0.476193D+00  0.199526D+01  0.134644D+01 -0.110231D+01  0.196091D+01
                81            82            83            84            85 
      1   0.994094D+01 -0.159407D+01 -0.197552D+01 -0.137974D+01 -0.152872D+01
      2  -0.138732D+02  0.556333D+01 -0.131887D+00  0.387083D+01  0.274495D+01
      3   0.199896D+01  0.395610D+01 -0.502238D+01  0.564082D+00  0.119828D+01
                86            87            88            89            90 
      1  -0.163419D+01 -0.134127D+01 -0.942479D+00 -0.287413D+00  0.514940D+00
      2   0.157777D+01  0.435404D+00  0.902200D+00 -0.658421D+00 -0.526851D+00
      3  -0.215275D+01 -0.437293D+00  0.495664D-01 -0.190043D+01  0.445142D+00
                91            92            93            94            95 
      1  -0.352273D+01  0.641364D+01  0.394099D+00  0.844759D+01  0.739492D+01
      2   0.127498D+00 -0.643768D+01  0.113823D+02 -0.940418D+01 -0.673553D+01
      3  -0.691035D+01  0.397741D+01  0.948126D+01  0.108900D+02  0.629611D+01
                96            97            98            99           100 
      1  -0.664313D+00  0.161244D+01  0.489160D+01 -0.387898D+01  0.113720D+01
      2  -0.888561D+00  0.761988D+01 -0.466426D+01  0.109562D+02  0.425353D+01
      3   0.988825D+00  0.102341D+02  0.159630D+01  0.293445D+01 -0.308344D+01
               101           102           103           104           105 
      1  -0.432667D+01 -0.397926D+01 -0.719734D+01 -0.209503D+01 -0.569101D+01
      2  -0.811344D+01  0.110360D+02 -0.890205D+01 -0.164820D+01  0.552135D+01
      3   0.608227D+01  0.698828D+01  0.143193D+02  0.339231D+01  0.684625D+01
               106           107           108           109           110 
      1  -0.498564D+01 -0.110919D+01  0.221495D+00 -0.659215D+01  0.203755D+00
      2   0.650801D+01  0.484732D+01 -0.836362D+01 -0.347707D+01 -0.341652D+00
      3   0.104882D+02  0.418838D+01 -0.210949D+01  0.331772D+01 -0.474547D+01
               111           112           113           114           115 
      1  -0.799186D+01 -0.338093D+00 -0.608482D+00 -0.998950D+01 -0.665014D+01
      2  -0.841033D+00  0.136250D+01 -0.183345D+01  0.105461D+02 -0.521965D+01
      3   0.263802D+01  0.132875D+01 -0.359919D+01 -0.328540D+00  0.378693D+01
               116           117           118           119           120 
      1  -0.232363D+01  0.603335D+01 -0.156158D+01 -0.677199D+00  0.209988D+01
      2   0.106818D+02 -0.145820D+01  0.341522D+01 -0.106572D+01  0.839738D+00
      3  -0.747255D+00 -0.388829D+01 -0.596862D+01 -0.800171D+00  0.231174D+01
               121           122           123           124           125 
      1   0.285083D+00  0.160510D+01 -0.274761D+01  0.149629D+01  0.920376D-01
      2  -0.112332D+01  0.961016D+00 -0.862833D+00 -0.282248D+01  0.221349D+00
      3   0.297003D+01  0.256632D-01 -0.111908D+01  0.302117D+01 -0.197843D+00
               126           127           128           129           130 
      1  -0.386984D+01 -0.881785D+00 -0.347896D+01 -0.154948D+01 -0.229143D+01
      2  -0.913454D+00  0.563861D+00  0.589440D+00  0.143266D+01  0.377612D+00
      3  -0.145849D+01  0.428975D+01  0.257340D+01  0.347975D+00  0.574970D+01
               131           132           133           134           135 
      1  -0.715563D+01 -0.611799D+01 -0.512627D+00 -0.406193D+01 -0.409420D+01
      2   0.112024D+01  0.112390D+01 -0.331243D+00  0.734962D+00 -0.147483D+00
      3   0.293087D+01  0.934562D+00  0.203736D+01  0.173947D+01 -0.192520D+00
               136           137           138           139           140 
      1   0.490039D+01 -0.200925D+01  0.565172D+01 -0.143517D+01  0.205203D+01
      2  -0.368795D+01  0.721217D+00 -0.983995D+00  0.768532D+00 -0.121630D+01
      3  -0.100865D+02  0.154488D+01 -0.491680D+01  0.262830D+01 -0.244114D+01
               141           142           143           144           145 
      1  -0.326583D+01  0.521800D+01 -0.211633D+01  0.961063D+01  0.715609D+00
      2   0.193391D+00 -0.454416D+01  0.112558D+01 -0.175245D+01  0.211166D+01
      3   0.277548D+01 -0.702624D+01  0.340684D+01 -0.563724D+01  0.193002D+01
               146           147           148           149           150 
      1  -0.544824D-01 -0.382359D+00 -0.325015D+00  0.164711D+01 -0.503000D+01
      2   0.212498D+00 -0.598174D-01  0.992208D-01  0.715874D+01 -0.753499D+01
      3   0.501798D+00 -0.136345D+01 -0.130105D+00  0.143876D+02 -0.761675D+01
               151           152           153           154           155 
      1   0.595283D+00 -0.170341D+01  0.439620D+01  0.206869D+01  0.130677D+01
      2   0.185450D-01 -0.787489D+01  0.826926D+01  0.251224D+01  0.826064D+00
      3  -0.780185D+00 -0.882509D+01  0.775086D+01 -0.130576D+02 -0.821780D+01
               156           157           158           159           160 
      1   0.952816D+00  0.117315D+01  0.135267D+01 -0.408158D+00  0.182068D+01
      2   0.550308D+01  0.150054D+01  0.132786D+01  0.213039D+01  0.310759D+01
      3  -0.292375D+01 -0.689946D+01 -0.748043D+01 -0.243292D+01 -0.333906D+01
               161           162           163           164           165 
      1   0.980173D+00  0.562975D+00 -0.195792D+01  0.115442D+01  0.195270D+01
      2  -0.367637D+00  0.218447D+01 -0.395073D+01  0.288136D+01  0.426385D+01
      3  -0.304774D+01 -0.132724D+01  0.277191D+00 -0.189977D+01 -0.720011D+00
               166           167           168           169           170 
      1   0.163202D+01 -0.160901D+01 -0.433671D+01  0.299111D+01 -0.163620D+01
      2   0.248825D+01 -0.437847D+01 -0.660181D+01  0.390190D+01 -0.709034D+01
      3  -0.125774D+01  0.629551D+01  0.324858D+01 -0.476752D+00  0.541468D+01
               171           172           173           174           175 
      1  -0.788651D+01  0.250211D+01  0.111386D+01  0.175569D+01 -0.342116D+00
      2  -0.148380D+02 -0.858830D+01  0.109762D+01 -0.701943D+01  0.157684D+01
      3   0.527344D+01 -0.317764D+01  0.471128D+00 -0.352101D+01  0.116602D+01
               176           177           178           179           180 
      1  -0.896953D+00 -0.582149D+00  0.132086D+01  0.229402D+01  0.482512D+01
      2  -0.272563D+01  0.329384D+01 -0.891513D+01  0.359358D+01 -0.167393D+02
      3  -0.253881D+01  0.299398D+01 -0.347863D+01  0.252822D+01 -0.546994D+01
               181           182           183           184           185 
      1  -0.262853D+01 -0.343508D+01 -0.125301D+01 -0.463052D+01 -0.913760D+01
      2   0.281414D+01  0.305301D+01  0.117086D+01  0.353266D+01  0.476651D+01
      3  -0.142092D+01 -0.443312D+01 -0.100648D+01 -0.300091D+01 -0.136620D+02
               186           187           188           189           190 
      1  -0.434120D+01 -0.111526D+01 -0.215363D+01 -0.285902D+01  0.412955D+01
      2   0.426260D+01  0.154554D+00  0.294506D+01  0.222140D+01  0.252195D+01
      3  -0.546969D+00 -0.810528D+00 -0.319152D+01 -0.210704D+01  0.814585D+01
               191           192           193           194           195 
      1  -0.376017D+01 -0.161458D+01 -0.356761D+01  0.291101D+01  0.376091D+00
      2  -0.601616D+00  0.328453D+01  0.182886D+00  0.713377D+00 -0.349788D+01
      3  -0.735887D+01 -0.335202D+01 -0.496818D+01  0.572807D+01  0.161971D+01
               196           197           198           199           200 
      1  -0.235419D+01  0.166554D+01  0.208930D+01 -0.190397D+01 -0.198034D+01
      2  -0.259773D+00 -0.223755D+00 -0.280389D+01  0.741759D+01  0.367534D+01
      3  -0.328070D+01  0.177280D+01  0.233817D+01  0.338260D+01  0.128148D+01
               201           202           203           204           205 
      1   0.493800D+00 -0.106029D+01 -0.259879D+01  0.797073D+00  0.143258D+01
      2  -0.594171D+01  0.389127D+01  0.454515D+01 -0.518263D+01 -0.746047D+01
      3  -0.216192D+01  0.238705D+01  0.370915D+01 -0.386524D+01 -0.298502D+01
               206           207           208           209           210 
      1   0.415861D+01 -0.792155D+00 -0.341734D+01  0.321398D+01  0.166655D+01
      2  -0.604235D+01  0.151743D+02 -0.557140D+01  0.347317D+01  0.383248D+01
      3  -0.375780D+01  0.471066D+01  0.464054D+01 -0.727323D+01 -0.387541D+00
               211           212           213           214           215 
      1   0.375070D+01 -0.356284D+01 -0.169691D+01  0.977568D+00  0.110447D+00
      2   0.368539D+01 -0.196043D+01 -0.423656D+01  0.777227D+00 -0.178995D+01
      3  -0.512757D+01  0.816457D+01 -0.806825D+00 -0.168739D+01  0.172794D+01
               216           217           218           219           220 
      1  -0.138341D+01  0.273390D+01  0.334789D+01  0.120373D+01  0.393010D+01
      2  -0.203916D+01 -0.720976D+00  0.622874D+00  0.143272D+01  0.454520D+00
      3   0.145895D+01 -0.418871D+01 -0.619235D+01 -0.298588D+01 -0.505257D+01
               221           222           223           224           225 
      1   0.740327D+01  0.698598D+00  0.220690D+01  0.320341D+01  0.174227D+01
      2   0.137590D+01  0.442358D+01 -0.185665D+00  0.153686D+01  0.366286D+01
      3  -0.119470D+02 -0.447059D+01 -0.309336D+01 -0.402525D+01 -0.361262D+01
               226           227           228           229           230 
      1  -0.167702D+01 -0.173936D+01  0.181343D+01 -0.469165D+00 -0.689147D+01
      2   0.435762D+01  0.227521D+01 -0.187516D+01  0.437982D+01  0.275038D+01
      3   0.421195D+00 -0.158118D+00 -0.153267D+00  0.220537D+01  0.269549D+01
               231           232           233           234           235 
      1   0.473242D+01  0.134892D+01  0.700509D+01 -0.698655D+01  0.257183D+01
      2  -0.510213D+01 -0.496607D+01 -0.350530D+01  0.635523D+01 -0.511471D+01
      3  -0.213046D+01 -0.796735D+00 -0.100421D+01  0.248343D+01  0.205560D+01
               236           237           238           239           240 
      1   0.355505D+01  0.849818D+00  0.261648D+01  0.524614D+01  0.766038D+00
      2  -0.140402D+01  0.163650D+01 -0.369167D+01 -0.654789D+00 -0.249325D+00
      3  -0.202926D+01  0.113213D+00  0.174437D+01 -0.248604D+01 -0.542714D+00
               241           242           243 
      1   0.113573D+01  0.252822D+01 -0.439679D+00
      2  -0.181446D+01 -0.108439D+01  0.451335D+00
      3   0.169085D+00 -0.971079D+00  0.464048D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.128086D+02  0.622458D+01 -0.138849D+01  0.125354D+02  0.588389D+00
      2  -0.832303D+01 -0.357302D+01 -0.246097D+01 -0.845296D+01  0.474104D+01
      3  -0.448560D+01 -0.265156D+01  0.384946D+01 -0.408242D+01 -0.532943D+01
      4   0.112285D+02  0.173144D+01  0.148033D+01  0.622155D+00 -0.610742D+01
      5  -0.136941D+01  0.402949D+01  0.850606D+01  0.657467D+01  0.848498D+01
      6  -0.127921D+01  0.165365D+01  0.516296D+01  0.365039D+01  0.693060D+01
                 6             7             8             9            10 
      1   0.360730D+01  0.274887D+01  0.623004D+01  0.742321D+01 -0.182581D+02
      2   0.332416D+00 -0.224244D+01  0.116353D+00 -0.155606D+01  0.172791D+01
      3  -0.393972D+01 -0.506434D+00 -0.634640D+01 -0.586715D+01  0.165302D+02
      4   0.469759D+01  0.472133D+01  0.688598D+01 -0.123643D+02 -0.236853D+02
      5  -0.661215D+01  0.555921D+01 -0.127655D+02 -0.165226D+01  0.784269D+01
      6  -0.188050D+01 -0.326581D+01 -0.379219D+01 -0.101189D+01  0.664757D+01
                11            12            13            14            15 
      1  -0.162719D+02  0.514460D+00 -0.175680D+02 -0.447034D+01  0.781605D+01
      2   0.126678D+02  0.282205D+01  0.114531D+02 -0.191399D+01  0.624391D+00
      3   0.360410D+01 -0.333651D+01  0.611483D+01  0.638432D+01 -0.844044D+01
      4  -0.115817D+02  0.251723D+01 -0.107223D+02  0.474822D+01 -0.466995D+01
      5   0.852757D+01  0.185143D+01  0.596890D+01 -0.720661D+01  0.777011D+01
      6   0.570694D+01 -0.131932D+01  0.681908D+00 -0.680681D+01  0.558380D+01
                16            17            18            19            20 
      1  -0.570923D+01  0.403660D+01  0.593842D+01 -0.180224D+02 -0.221607D+00
      2   0.340042D+01  0.531633D+00  0.139518D+02  0.115324D+02 -0.286228D+01
      3   0.230882D+01 -0.456823D+01 -0.198902D+02  0.649006D+01  0.308389D+01
      4  -0.255931D+01 -0.614274D+01  0.810762D+01 -0.163187D+01 -0.260541D+01
      5   0.159093D+01  0.101685D+02  0.844817D+01  0.974478D+00 -0.136874D+01
      6   0.252258D+01  0.829549D+01 -0.761216D+00  0.124909D+01 -0.248304D+01
                21            22            23            24            25 
      1  -0.854183D+00 -0.233675D+01  0.173157D+02  0.675958D+01 -0.270873D+01
      2   0.628769D+00  0.551438D+00 -0.248068D+02 -0.169529D+01  0.329707D+01
      3   0.225414D+00  0.178531D+01  0.749113D+01 -0.506429D+01 -0.588346D+00
      4   0.217479D+00 -0.607876D+01  0.315785D+01 -0.139594D+00 -0.499886D+01
      5  -0.589534D+01 -0.734967D+01 -0.362124D+01  0.206010D+01 -0.140533D+01
      6  -0.663268D+00 -0.409330D+00 -0.173437D+02 -0.105975D+02 -0.435827D+00
                26            27            28            29            30 
      1   0.821207D+01  0.282505D+01  0.193641D+01 -0.113538D+01 -0.905831D+00
      2  -0.135659D+02 -0.580537D+01  0.280631D+01  0.167783D+01  0.232339D+00
      3   0.535386D+01  0.298032D+01 -0.474272D+01 -0.542451D+00  0.673492D+00
      4  -0.386683D+00  0.239624D+01  0.658874D+00  0.129805D+02  0.353233D+01
      5   0.158172D+01 -0.559059D+00 -0.169626D-01  0.318840D+01  0.722347D+01
      6  -0.345723D+01 -0.107590D+02  0.462134D+01  0.697535D+00  0.135264D+01
                31            32            33            34            35 
      1   0.945258D+00 -0.418071D+02 -0.147710D+02  0.513758D+00 -0.167558D+02
      2  -0.327375D+00  0.620054D+02  0.117273D+02 -0.821888D+00  0.126324D+02
      3  -0.617883D+00 -0.201983D+02  0.304370D+01  0.308130D+00  0.412338D+01
      4   0.138859D+02 -0.126945D+00 -0.633976D+00  0.426402D+01 -0.786086D+00
      5   0.402452D+01  0.160452D+01  0.141631D+01  0.786252D+01  0.217127D+01
      6  -0.505452D-01  0.286467D+02  0.228230D+02  0.970100D+00  0.249768D+02
                36            37            38            39            40 
      1  -0.180677D+02  0.106834D+02  0.212660D+01  0.101072D+01 -0.444249D+01
      2   0.758945D+01 -0.351211D+01 -0.152882D+01  0.849992D+00  0.531602D+01
      3   0.104783D+02 -0.717131D+01 -0.597788D+00 -0.186071D+01 -0.873526D+00
      4  -0.216699D+00 -0.322697D+01  0.750421D+01  0.105031D+02  0.498969D+01
      5   0.257836D+01 -0.418231D+01  0.915546D+01 -0.855615D+01  0.142959D+02
      6   0.228338D+02  0.414328D+01 -0.672948D+00 -0.685352D+01  0.143849D+01
                41            42            43            44            45 
      1   0.870946D+01  0.111799D+02 -0.826771D+00  0.122733D+02 -0.132768D+02
      2  -0.476681D+01 -0.103080D+02 -0.447523D+00 -0.938688D+01  0.925327D+01
      3  -0.394266D+01 -0.871895D+00  0.127429D+01 -0.288639D+01  0.402350D+01
      4  -0.721127D+00  0.471537D+01  0.143082D+02  0.146491D+01 -0.393349D+01
      5   0.442192D+01 -0.823480D+01 -0.163990D+02 -0.188371D+01 -0.877376D+00
      6   0.233644D-01 -0.215357D+01 -0.447332D+01 -0.200094D+01  0.576382D+01
                46            47            48            49            50 
      1  -0.963114D+00 -0.618975D+01 -0.862331D+01 -0.815142D+01 -0.487820D+01
      2   0.450740D+01  0.260186D+01  0.121395D+02  0.285615D+01  0.454391D+01
      3  -0.354429D+01  0.358789D+01 -0.351623D+01  0.529526D+01  0.334286D+00
      4   0.521717D+01 -0.525551D+01 -0.681499D+01 -0.617828D+01  0.510219D+01
      5   0.225432D+01 -0.193147D+01 -0.677536D+01 -0.298614D+01  0.406456D+01
      6  -0.393450D+01  0.151092D+02  0.582345D+01  0.123296D+02 -0.232141D+01
                51            52            53            54            55 
      1  -0.201177D+01 -0.850164D+01 -0.414487D+01  0.448517D+01 -0.694093D+00
      2   0.444680D+01  0.115068D+02  0.693538D+01 -0.550342D+01  0.196582D+01
      3  -0.243503D+01 -0.300512D+01 -0.279051D+01  0.101824D+01 -0.127172D+01
      4   0.816685D+01 -0.105282D+02  0.968178D+01  0.383735D+01  0.628017D+00
      5   0.512734D+01 -0.401301D+01  0.518533D+01  0.171096D+01 -0.161862D+01
      6  -0.618815D+01  0.633002D+01 -0.747619D+01 -0.432460D+01  0.374815D+01
                56            57            58            59            60 
      1   0.895388D+01  0.106174D+02  0.108345D+02  0.113017D+02  0.291106D+01
      2  -0.179844D+02 -0.154911D+02 -0.161622D+02 -0.236082D+02 -0.924220D+01
      3   0.903053D+01  0.487368D+01  0.532770D+01  0.123065D+02  0.633113D+01
      4  -0.507966D+01  0.335821D+01 -0.248562D+01 -0.116272D+02 -0.923665D+01
      5  -0.118442D+01 -0.341421D+01 -0.235412D+01 -0.294654D+01  0.191516D+01
      6  -0.157343D+02  0.982172D+01 -0.108572D+02 -0.788263D+01 -0.111256D+01
                61            62            63            64            65 
      1   0.113288D+02  0.552819D+01  0.166734D+01 -0.226804D+02 -0.216120D+02
      2  -0.158119D+02 -0.139943D+02 -0.184401D+01  0.189992D+02  0.118304D+02
      3   0.448309D+01  0.846612D+01  0.176671D+00  0.368119D+01  0.978159D+01
      4   0.510492D+01 -0.133864D+02  0.586010D+01 -0.212696D+02  0.375919D+01
      5  -0.389455D+01  0.195998D+01 -0.393311D+01 -0.710436D+01 -0.105684D+02
      6   0.100907D+02 -0.507931D+01  0.424103D+01 -0.275001D+01  0.387394D+01
                66            67            68            69            70 
      1  -0.887818D+01 -0.298119D+02  0.469300D+01 -0.153390D+02 -0.813032D+01
      2   0.734845D+01  0.170160D+02 -0.537068D+01  0.114096D+02  0.598750D+01
      3   0.152973D+01  0.127959D+02  0.677678D+00  0.392936D+01  0.214282D+01
      4  -0.795041D+01 -0.955685D+00  0.988826D+01 -0.491613D+01 -0.949861D+01
      5  -0.781174D+01 -0.133294D+02 -0.780027D+01  0.204394D+02 -0.127574D+02
      6   0.186344D+01  0.198767D+01  0.715662D+01 -0.143627D+02  0.764878D+01
                71            72            73            74            75 
      1  -0.152522D+02  0.256596D+00  0.157733D+01  0.200781D+01 -0.364831D+01
      2   0.116606D+02 -0.658659D+01 -0.408370D+01 -0.204278D+01  0.111461D+01
      3   0.359153D+01  0.632999D+01  0.250637D+01  0.349647D-01  0.253370D+01
      4  -0.440982D+01  0.216698D+02  0.225743D+01  0.141090D+01 -0.126435D+01
      5   0.219261D+02  0.109539D+02 -0.344176D+01 -0.300594D+00  0.529101D+01
      6  -0.159049D+02 -0.291491D+01 -0.135741D+01  0.227494D+00 -0.617894D+00
                76            77            78            79            80 
      1   0.763100D+00 -0.181777D+01 -0.172080D+01 -0.173616D+01  0.303477D+00
      2   0.494786D+00 -0.188616D+01 -0.599357D+01  0.509623D+01 -0.404783D+01
      3  -0.125789D+01  0.370393D+01  0.771437D+01 -0.336007D+01  0.374436D+01
      4   0.248180D+01 -0.225976D+01 -0.212370D+01 -0.170352D+01 -0.246618D+01
      5   0.157109D+01 -0.208422D+01 -0.547207D+01  0.876204D+01 -0.156000D+01
      6  -0.761228D+00  0.172451D+01  0.391975D+01  0.121601D+01  0.482912D+01
                81            82            83            84            85 
      1  -0.163496D+02  0.409120D+02  0.108985D+02 -0.336069D+01  0.894052D+01
      2  -0.231405D+02 -0.165073D+02 -0.144903D+01  0.291648D+01  0.377154D+00
      3   0.394900D+02 -0.244047D+02 -0.944944D+01  0.444213D+00 -0.931767D+01
      4   0.149009D+00  0.332936D+02  0.195216D+02 -0.538641D+01  0.182612D+02
      5  -0.217604D+02 -0.163885D+02 -0.748406D+01  0.885962D+01 -0.527722D+01
      6  -0.919040D+01 -0.779838D+01 -0.580424D+01  0.451180D+01 -0.414762D+01
                86            87            88            89            90 
      1   0.493455D+01 -0.139000D+01  0.334803D+01 -0.212640D+00  0.287998D+01
      2   0.391044D+01  0.215242D+00  0.429699D+00  0.106782D+01 -0.411688D+01
      3  -0.884500D+01  0.117476D+01 -0.377773D+01 -0.855184D+00  0.123691D+01
      4   0.145238D+02 -0.228123D+01  0.822948D+00  0.199016D+01  0.390614D+01
      5  -0.303982D+01  0.237385D+01  0.696151D+01  0.197235D+01 -0.340730D+01
      6  -0.383641D+01  0.278777D+01  0.339361D+01  0.171400D+01 -0.118476D+01
                91            92            93            94            95 
      1  -0.169237D+02  0.837776D+01  0.167282D+02  0.148717D+02 -0.115770D+02
      2   0.117287D+02 -0.150648D+02 -0.550902D+01 -0.234015D+02 -0.430598D+01
      3   0.519495D+01  0.668705D+01 -0.112192D+02  0.852979D+01  0.158830D+02
      4   0.863958D+01 -0.909915D+01 -0.117412D+02 -0.120037D+02 -0.161861D+02
      5   0.136244D+02 -0.171463D+02  0.490932D+01 -0.244295D+02 -0.183785D+01
      6  -0.672087D+01  0.558239D-01  0.125598D+02 -0.743440D+00  0.437726D+00
                96            97            98            99           100 
      1  -0.171633D+02  0.138197D+02 -0.143040D+02  0.190119D+02 -0.140949D+02
      2   0.778043D+01 -0.447477D+01  0.329574D+01 -0.463559D+01  0.839878D+00
      3   0.938286D+01 -0.934488D+01  0.110083D+02 -0.143764D+02  0.132550D+02
      4  -0.886176D+01 -0.161382D+02 -0.105096D+02  0.703143D+01  0.113793D+02
      5   0.118335D+02  0.961015D+01  0.645740D+01 -0.164616D+01  0.406568D-01
      6   0.342479D+01  0.128821D+02  0.202168D+01  0.189516D+01 -0.242509D+00
               101           102           103           104           105 
      1   0.124893D+02 -0.362102D+01  0.147353D+02 -0.173004D+02 -0.158344D+02
      2   0.183837D+01 -0.492846D+01  0.460542D+00  0.103277D+02  0.568398D+01
      3  -0.143277D+02  0.854948D+01 -0.151958D+02  0.697272D+01  0.101504D+02
      4  -0.193467D+02 -0.112781D+02 -0.250746D+02 -0.284589D+01 -0.786697D+01
      5  -0.905237D+01  0.120283D+02 -0.119416D+02 -0.130437D+02 -0.430275D+01
      6  -0.613304D+01 -0.640815D+01 -0.986451D+01 -0.407001D+01 -0.582128D+01
               106           107           108           109           110 
      1   0.122346D+01 -0.184515D+02  0.191989D+02 -0.231662D+00  0.357019D+01
      2  -0.688609D+01  0.753654D+01 -0.720636D+01 -0.430093D+01  0.498995D+01
      3   0.566263D+01  0.109150D+02 -0.119926D+02  0.453259D+01 -0.856015D+01
      4  -0.168456D+02 -0.354506D+01 -0.260695D+01 -0.677720D+01 -0.563315D+01
      5   0.160915D+02 -0.580615D+01  0.408321D+01 -0.331793D+01 -0.132868D+02
      6  -0.934413D+01 -0.344209D+01  0.108648D+01 -0.746611D+01 -0.105862D+02
               111           112           113           114           115 
      1   0.483491D+01  0.115289D+01  0.590724D+00 -0.986949D+01  0.510464D+01
      2  -0.536795D+01  0.620782D+01  0.220529D+01 -0.568803D+01 -0.621354D+01
      3   0.533045D+00 -0.736071D+01 -0.279602D+01  0.155575D+02  0.110889D+01
      4  -0.805120D+01 -0.791196D+01 -0.253414D+01 -0.640378D+01 -0.695560D+01
      5  -0.275082D+01 -0.134237D+02 -0.792971D+01 -0.553615D+01 -0.422421D+01
      6  -0.117005D+02 -0.938728D+01 -0.427754D+01 -0.572989D+01 -0.786859D+01
               116           117           118           119           120 
      1  -0.993115D+01 -0.345251D+01  0.351486D+01  0.236382D+01  0.160272D+01
      2  -0.528397D+01  0.475277D+01 -0.132599D+01 -0.469465D+01 -0.945230D-01
      3   0.152151D+02 -0.130026D+01 -0.218888D+01  0.233082D+01 -0.150820D+01
      4  -0.497376D+01  0.346213D+01 -0.150186D+02  0.126427D+02  0.925710D+01
      5  -0.167340D+01 -0.922823D+00 -0.116247D+02  0.726239D+01  0.105287D+02
      6  -0.320780D+01  0.702700D+01  0.103706D+02 -0.931165D+01 -0.911825D+01
               121           122           123           124           125 
      1   0.387443D+01 -0.993135D+01 -0.589749D+01  0.260996D+01 -0.619468D+01
      2  -0.596599D+01  0.140037D+02  0.462938D+01 -0.445213D+00  0.297568D+01
      3   0.209156D+01 -0.407232D+01  0.126811D+01 -0.216475D+01  0.321900D+01
      4   0.110303D+02 -0.137981D+02 -0.802697D+01  0.812061D+01 -0.802144D+01
      5   0.605530D+01 -0.739145D+01 -0.595754D+01  0.958384D+01 -0.687901D+01
      6  -0.928292D+01  0.151078D+02  0.127755D+02 -0.956801D+01  0.137478D+02
               126           127           128           129           130 
      1  -0.861635D+01 -0.222426D+01 -0.719269D+01 -0.134254D+01 -0.556074D+01
      2  -0.107768D+00  0.890952D+01  0.178591D+02  0.335368D+01  0.130639D+02
      3   0.872412D+01 -0.668525D+01 -0.106664D+02 -0.201114D+01 -0.750313D+01
      4  -0.927435D+01  0.958061D+01  0.155491D+02  0.170861D+01  0.111470D+02
      5  -0.102627D+02  0.543647D+00  0.819265D+00  0.285453D+01  0.156292D+00
      6   0.162812D+02  0.120597D+01  0.300676D+01  0.179774D+01  0.234389D+01
               131           132           133           134           135 
      1  -0.330159D+02 -0.429431D+01 -0.246273D+01 -0.968733D+01 -0.589123D+01
      2   0.639395D+02  0.843431D+01  0.478296D+01  0.181915D+02  0.861751D+01
      3  -0.309236D+02 -0.414000D+01 -0.232024D+01 -0.850417D+01 -0.272628D+01
      4   0.190671D+02  0.330065D+01  0.328367D+01  0.629274D+01  0.287233D+01
      5   0.244865D+01  0.129526D+01  0.250712D+01  0.228350D+01  0.168617D+01
      6   0.752717D+01  0.841973D+01  0.168733D+01  0.119159D+02  0.638631D+01
               136           137           138           139           140 
      1  -0.536160D+00  0.565862D+01 -0.466655D+01  0.278094D+01 -0.100507D+02
      2   0.152752D+01 -0.773385D+01  0.461714D+01 -0.416074D+01  0.147285D+02
      3  -0.991365D+00  0.207523D+01  0.494164D-01  0.137980D+01 -0.467781D+01
      4  -0.113366D+02  0.850999D+01 -0.714688D+01  0.603694D+01 -0.520753D+01
      5   0.724293D+01 -0.323930D+01  0.595967D+01 -0.183093D+01  0.375904D+01
      6  -0.893676D+01  0.948728D+01 -0.102774D+02  0.668429D+01 -0.101860D+02
               141           142           143           144           145 
      1   0.584838D+01 -0.472203D+01  0.923524D+01 -0.105431D+02  0.665251D+00
      2  -0.581066D+01  0.318829D+01 -0.823119D+01  0.340610D+01  0.285343D+00
      3  -0.377249D-01  0.153374D+01 -0.100405D+01  0.713697D+01 -0.950594D+00
      4   0.509091D+01 -0.763175D+01  0.618214D+01 -0.713615D+01 -0.114799D+01
      5  -0.237240D+01  0.705923D+01 -0.319475D+01  0.561447D+01  0.357670D+01
      6   0.101101D+02 -0.986802D+01  0.151499D+02 -0.203024D+02 -0.264707D+01
               146           147           148           149           150 
      1  -0.337728D+01  0.531574D+01 -0.253736D+01 -0.111933D+02  0.809484D+01
      2   0.211117D+01 -0.260932D+01 -0.160531D+01  0.204133D+02 -0.882840D+01
      3   0.126611D+01 -0.270643D+01  0.414267D+01 -0.921997D+01  0.733560D+00
      4   0.345910D+01 -0.201774D+01  0.115026D+02 -0.262930D+02  0.123474D+02
      5  -0.946966D+00  0.215608D+01 -0.359195D+01  0.135699D+02 -0.136936D+02
      6  -0.996288D+00  0.703075D+00  0.282388D+01 -0.162112D+02  0.139006D+02
               151           152           153           154           155 
      1   0.631899D+01  0.802225D+01 -0.759831D+01  0.644673D+02  0.122434D+02
      2  -0.266802D+01 -0.901032D+01  0.389461D+01 -0.378007D+02 -0.821406D+01
      3  -0.365097D+01  0.988075D+00  0.370370D+01 -0.266665D+02 -0.402937D+01
      4  -0.690832D+01  0.151812D+02 -0.134630D+02  0.384542D+01  0.882631D+01
      5   0.812135D+01 -0.152606D+02  0.149268D+02  0.150686D+02  0.323595D+01
      6  -0.388036D+01  0.155295D+02 -0.143123D+02 -0.877364D+00  0.429454D+00
               156           157           158           159           160 
      1   0.104926D+02  0.285912D+02  0.979809D+01  0.513703D+01  0.133162D+02
      2  -0.751869D+01 -0.172091D+02 -0.594514D+01 -0.454757D+01 -0.954608D+01
      3  -0.297390D+01 -0.113821D+02 -0.385295D+01 -0.589459D+00 -0.377009D+01
      4   0.121866D+01  0.940429D+01  0.101431D+02  0.303355D+01  0.130723D+01
      5   0.115004D+02  0.728535D+01  0.431802D+01  0.455919D+01  0.145974D+02
      6  -0.130312D+01  0.485974D+00  0.403456D+00  0.207419D+01 -0.160070D+01
               161           162           163           164           165 
      1   0.348636D+01  0.843860D+01  0.107455D+02 -0.230049D+01 -0.572588D+01
      2  -0.336756D+01 -0.627189D+01 -0.545760D+01 -0.334352D+00  0.206421D+01
      3  -0.118805D+00 -0.216671D+01 -0.528787D+01  0.263484D+01  0.366167D+01
      4   0.358298D+01 -0.770171D+00 -0.610375D+01  0.648008D+01  0.743103D+01
      5   0.673506D+00  0.654025D+01 -0.803319D+01  0.620347D+01  0.954031D+01
      6   0.305361D+01 -0.521941D-01  0.459333D+01 -0.289914D+01 -0.353962D+01
               166           167           168           169           170 
      1  -0.221293D+01 -0.254197D+00  0.169939D+01 -0.123868D+02  0.352981D+01
      2  -0.205335D+01  0.636374D+01  0.182338D+01  0.562397D+01  0.141178D+01
      3   0.426628D+01 -0.610954D+01 -0.352276D+01  0.676286D+01 -0.494159D+01
      4   0.113617D+02 -0.156874D+02 -0.927582D+01  0.142111D+02 -0.140497D+02
      5   0.713388D+01 -0.839505D+01 -0.119689D+02  0.160046D+02 -0.143963D+02
      6  -0.407808D+01  0.658176D+01  0.993971D+01 -0.728248D+01  0.111384D+02
               171           172           173           174           175 
      1   0.159459D+01 -0.609203D+01  0.195549D+01 -0.112422D+02  0.379787D+00
      2  -0.328718D+01 -0.133163D+00 -0.257895D+00  0.554511D-01  0.128566D+01
      3   0.169258D+01  0.622519D+01 -0.169759D+01  0.111867D+02 -0.166545D+01
      4  -0.147129D+02 -0.311198D+01 -0.340109D+00  0.610319D+00  0.241996D+01
      5  -0.287999D+02  0.151107D+01  0.265908D+01 -0.191193D+01  0.160913D+01
      6   0.156697D+02 -0.153089D+01  0.395448D+01 -0.614540D+01  0.171650D+01
               176           177           178           179           180 
      1  -0.493978D+01  0.803380D+01 -0.987316D+01  0.762293D+01 -0.245482D+02
      2   0.236039D+01 -0.216831D+01  0.192028D+01 -0.111426D+01 -0.833954D+01
      3   0.257938D+01 -0.586549D+01  0.795288D+01 -0.650868D+01  0.328878D+02
      4   0.349480D+01 -0.219585D+01 -0.135012D+01 -0.265338D+01  0.230804D+01
      5  -0.252445D+01  0.194154D+01  0.363016D+01  0.396598D+01 -0.165531D+02
      6  -0.580439D+01  0.862231D+01 -0.281919D+01  0.897468D+01 -0.154439D+02
               181           182           183           184           185 
      1   0.121326D+02  0.649184D+01 -0.562800D+00  0.817149D+01  0.182460D+01
      2  -0.147041D+01  0.362245D+01  0.105916D+01  0.559927D+01  0.200319D+02
      3  -0.106621D+02 -0.101143D+02 -0.496361D+00 -0.137708D+02 -0.218565D+02
      4   0.131811D+02  0.159150D+02  0.226620D+01  0.219005D+02  0.343702D+02
      5  -0.309065D+01  0.133913D+00  0.275353D+01 -0.140044D+01 -0.168854D+01
      6  -0.139072D+01 -0.278271D+01  0.637031D-01 -0.441134D+01 -0.890725D+01
               186           187           188           189           190 
      1   0.261661D+01  0.417260D+01  0.351062D+01 -0.925898D+00  0.467300D+02
      2   0.181531D+01  0.859651D-01  0.340473D+01  0.227583D+01 -0.313209D+02
      3  -0.443192D+01 -0.425856D+01 -0.691535D+01 -0.134993D+01 -0.154091D+02
      4   0.135077D+01  0.745374D+01  0.812412D+01  0.373605D+01 -0.561634D+01
      5   0.549005D+01  0.174800D+01  0.319624D+01  0.397591D+01 -0.293332D+02
      6   0.463999D+01  0.144733D+00  0.256571D+01  0.136078D+01  0.336302D+01
               191           192           193           194           195 
      1  -0.103332D+02 -0.131839D+02 -0.204102D+02  0.939197D+01  0.608818D+01
      2   0.850878D+01  0.122060D+02  0.156683D+02 -0.500652D+01 -0.706456D+01
      3   0.182447D+01  0.977907D+00  0.474199D+01 -0.438545D+01  0.976376D+00
      4   0.961738D+01  0.230622D+01  0.108629D+02 -0.827113D+01 -0.274038D+01
      5   0.701426D+01  0.168116D+02  0.157645D+02 -0.676060D+01 -0.115244D+02
      6  -0.431012D+01 -0.152270D+01 -0.458209D+01  0.517057D+01  0.238721D+01
               196           197           198           199           200 
      1  -0.882438D+01  0.279969D+01  0.488821D+01 -0.646063D+01 -0.520429D+01
      2   0.994612D+01 -0.293569D+01 -0.860870D+01  0.223583D+01  0.156720D+01
      3  -0.112174D+01  0.136002D+00  0.372049D+01  0.422480D+01  0.363709D+01
      4   0.306708D+01 -0.114909D+01 -0.300155D+01 -0.706261D+00  0.140025D+01
      5   0.147256D+02 -0.511014D+01 -0.122121D+02 -0.257439D+01  0.444182D+00
      6  -0.234504D+01  0.216454D+01  0.816467D+00 -0.211821D+01 -0.198108D+01
               201           202           203           204           205 
      1   0.826300D+01 -0.578252D+01 -0.475098D+01  0.762654D+01  0.754881D+01
      2   0.201528D+01  0.258691D+01  0.127831D+01  0.346566D+00 -0.135296D+01
      3  -0.102783D+02  0.319561D+01  0.347267D+01 -0.797310D+01 -0.619585D+01
      4   0.145709D+01  0.365973D+01 -0.338629D+01  0.472879D+01  0.785717D+00
      5  -0.276892D+01 -0.985363D+00  0.439982D+01 -0.501750D+01  0.309460D+01
      6   0.255942D+01 -0.634592D+00 -0.524412D+01  0.784132D+01  0.259871D+01
               206           207           208           209           210 
      1   0.900157D+01 -0.212546D+02  0.421976D+02 -0.162051D+02  0.212508D+00
      2  -0.694006D+00 -0.872554D+01 -0.172540D+02  0.364928D+01 -0.137046D+01
      3  -0.830756D+01  0.299802D+02 -0.249436D+02  0.125558D+02  0.115795D+01
      4   0.436504D+01 -0.494611D+01 -0.242511D+02  0.186757D+02  0.176435D+00
      5  -0.416031D+01  0.155860D+02  0.956057D+01 -0.311391D+01  0.668245D+01
      6   0.778204D+01 -0.100404D+02 -0.518659D+01  0.488289D+01 -0.125915D+01
               211           212           213           214           215 
      1  -0.213613D+02  0.127105D+02  0.152318D+01 -0.922946D+01  0.455805D+01
      2   0.526554D+01  0.484781D+00  0.135806D+01  0.321889D+01  0.957337D-01
      3   0.160957D+02 -0.131953D+02 -0.288123D+01  0.601056D+01 -0.465378D+01
      4   0.240707D+02 -0.212907D+02  0.138878D+01  0.562630D+01 -0.384482D+01
      5  -0.496467D+01  0.473268D+01 -0.567254D+01  0.421692D+01 -0.307616D+01
      6   0.603738D+01 -0.485589D+01  0.350013D+01 -0.619185D+00  0.194782D+01
               216           217           218           219           220 
      1   0.233640D+01  0.176686D+02  0.680212D+01  0.609633D+01  0.125710D+02
      2  -0.747164D+00 -0.102174D+02 -0.489404D+01 -0.500904D+01 -0.834676D+01
      3  -0.158924D+01 -0.745119D+01 -0.190808D+01 -0.108728D+01 -0.422427D+01
      4  -0.425949D+01  0.100347D+02  0.123978D+02  0.586935D+01  0.173468D+02
      5  -0.257303D+01  0.128154D+02  0.809606D+01  0.842241D+01  0.144040D+02
      6  -0.125774D+00  0.499048D+01  0.532562D+01  0.397619D+01  0.821446D+01
               221           222           223           224           225 
      1   0.726120D+01  0.416032D+01  0.405245D+01  0.262992D+01 -0.639961D-01
      2  -0.244032D+01 -0.602147D+01 -0.510257D+01 -0.398600D+01 -0.530252D+01
      3  -0.482088D+01  0.186115D+01  0.105012D+01  0.135608D+01  0.536652D+01
      4   0.211455D+02  0.889034D+01  0.641725D+01  0.601460D+01  0.722397D+01
      5   0.115831D+02  0.138905D+02  0.926571D+01  0.871715D+01  0.110047D+02
      6   0.125527D+02  0.819107D+01  0.499847D+01  0.652498D+01  0.542024D+01
               226           227           228           229           230 
      1  -0.113414D+01 -0.528472D+00  0.190191D+01 -0.121915D+01 -0.458810D+01
      2  -0.243374D+01 -0.140484D+01  0.198583D+01 -0.212356D+00 -0.345806D+01
      3   0.356788D+01  0.193332D+01 -0.388774D+01  0.143151D+01  0.804616D+01
      4   0.398708D+00  0.206954D+01  0.202355D+00  0.275944D+01 -0.244187D+01
      5  -0.132672D+01 -0.122868D+01  0.526202D+01 -0.234629D+01  0.251414D+01
      6  -0.134158D+01 -0.701799D-01  0.931889D+00  0.140715D+00 -0.852740D+01
               231           232           233           234           235 
      1   0.809922D+01  0.995702D+00  0.588708D+01 -0.164603D+02  0.818558D+01
      2   0.757018D+01  0.862779D+00  0.550798D+01 -0.175638D+02 -0.587957D+01
      3  -0.156694D+02 -0.185848D+01 -0.113951D+02  0.340241D+02 -0.230601D+01
      4   0.293523D+01 -0.417138D-01  0.157128D+01 -0.208509D+01  0.138596D+02
      5  -0.344316D+01  0.583531D+01 -0.117417D+01  0.593970D+01  0.180035D+02
      6   0.101435D+02  0.159524D+01  0.811643D+01 -0.722030D+01  0.106453D+02
               236           237           238           239           240 
      1   0.833836D+00 -0.716080D-01  0.343375D-01 -0.530644D+01 -0.348755D+01
      2  -0.109815D+01 -0.480695D+01  0.120773D+00  0.569444D+01  0.326115D+00
      3   0.264314D+00  0.487856D+01 -0.155111D+00 -0.387993D+00  0.316143D+01
      4   0.116331D+02  0.840591D+01  0.120992D+02  0.134630D+02  0.836282D+01
      5   0.109490D+02  0.146828D+02  0.113674D+02  0.103687D+02  0.969567D+01
      6   0.935384D+01  0.960046D+01  0.103113D+02  0.148784D+02  0.127010D+02
               241           242           243 
      1  -0.174799D+01 -0.251067D+01 -0.452201D+01
      2  -0.309151D+01 -0.323660D+00 -0.501871D+01
      3   0.483950D+01  0.283433D+01  0.954071D+01
      4   0.566561D+01  0.498793D+01  0.621008D+01
      5   0.102978D+02  0.700044D+01  0.117470D+02
      6   0.761146D+01  0.905484D+01  0.972871D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 19:56:38 2021, MaxMem= 17179869184 cpu:           20045.6 elap:            1674.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45569 -10.52277 -10.45481 -10.45333 -10.44787
 Alpha  occ. eigenvalues --  -10.44538 -10.44172 -10.43986 -10.43380 -10.43134
 Alpha  occ. eigenvalues --  -10.42755  -1.17148  -1.02698  -0.93419  -0.88329
 Alpha  occ. eigenvalues --   -0.85278  -0.81692  -0.79965  -0.77109  -0.70353
 Alpha  occ. eigenvalues --   -0.67957  -0.62688  -0.60448  -0.60232  -0.57782
 Alpha  occ. eigenvalues --   -0.56241  -0.55183  -0.53507  -0.52044  -0.51521
 Alpha  occ. eigenvalues --   -0.49985  -0.49470  -0.48759  -0.48003  -0.46661
 Alpha  occ. eigenvalues --   -0.46147  -0.45855  -0.44148  -0.42698  -0.41467
 Alpha  occ. eigenvalues --   -0.40952  -0.34110
 Alpha virt. eigenvalues --    0.04365   0.05755   0.05940   0.06324   0.07428
 Alpha virt. eigenvalues --    0.08863   0.09348   0.09507   0.09834   0.11225
 Alpha virt. eigenvalues --    0.13268   0.13917   0.14756   0.15148   0.15821
 Alpha virt. eigenvalues --    0.16156   0.16413   0.17552   0.18958   0.19620
 Alpha virt. eigenvalues --    0.20405   0.20803   0.21348   0.21496   0.22118
 Alpha virt. eigenvalues --    0.23425   0.23945   0.24276   0.25324   0.26097
 Alpha virt. eigenvalues --    0.26153   0.26602   0.27398   0.28088   0.28666
 Alpha virt. eigenvalues --    0.29506   0.30337   0.31241   0.31649   0.31975
 Alpha virt. eigenvalues --    0.33016   0.33911   0.34234   0.34443   0.34991
 Alpha virt. eigenvalues --    0.35611   0.35801   0.35869   0.36872   0.37082
 Alpha virt. eigenvalues --    0.37621   0.37816   0.37836   0.38219   0.38487
 Alpha virt. eigenvalues --    0.38882   0.39422   0.39655   0.39914   0.40247
 Alpha virt. eigenvalues --    0.40623   0.41199   0.41304   0.42163   0.42539
 Alpha virt. eigenvalues --    0.42974   0.43231   0.43635   0.44071   0.44773
 Alpha virt. eigenvalues --    0.44962   0.45470   0.46131   0.46637   0.46953
 Alpha virt. eigenvalues --    0.47327   0.48590   0.48868   0.49034   0.49661
 Alpha virt. eigenvalues --    0.49680   0.50729   0.51529   0.52002   0.52244
 Alpha virt. eigenvalues --    0.53146   0.53375   0.53740   0.54245   0.54538
 Alpha virt. eigenvalues --    0.54790   0.55689   0.56053   0.56641   0.56821
 Alpha virt. eigenvalues --    0.57658   0.58500   0.58977   0.59581   0.60020
 Alpha virt. eigenvalues --    0.60277   0.60498   0.61029   0.63110   0.63390
 Alpha virt. eigenvalues --    0.63471   0.64308   0.64744   0.64920   0.65098
 Alpha virt. eigenvalues --    0.66068   0.66362   0.66813   0.67547   0.68217
 Alpha virt. eigenvalues --    0.68865   0.69672   0.70612   0.71109   0.72052
 Alpha virt. eigenvalues --    0.72418   0.72736   0.74184   0.74382   0.75470
 Alpha virt. eigenvalues --    0.76080   0.76837   0.77638   0.78781   0.80044
 Alpha virt. eigenvalues --    0.80643   0.81108   0.82654   0.83761   0.84092
 Alpha virt. eigenvalues --    0.84592   0.85995   0.87036   0.87429   0.87732
 Alpha virt. eigenvalues --    0.89337   0.89941   0.91978   0.95907   0.96531
 Alpha virt. eigenvalues --    0.98044   0.98993   0.99636   1.01146   1.01425
 Alpha virt. eigenvalues --    1.03975   1.05406   1.05474   1.06832   1.07664
 Alpha virt. eigenvalues --    1.08244   1.08978   1.09575   1.09686   1.10412
 Alpha virt. eigenvalues --    1.11384   1.12062   1.13477   1.14412   1.15416
 Alpha virt. eigenvalues --    1.15639   1.17006   1.18497   1.20087   1.21276
 Alpha virt. eigenvalues --    1.22184   1.24729   1.26010   1.27965   1.28611
 Alpha virt. eigenvalues --    1.29579   1.31090   1.32103   1.34603   1.37296
 Alpha virt. eigenvalues --    1.37586   1.39231   1.41764   1.42674   1.43048
 Alpha virt. eigenvalues --    1.44765   1.45725   1.48513   1.49787   1.50941
 Alpha virt. eigenvalues --    1.53451   1.54338   1.55037   1.57281   1.59847
 Alpha virt. eigenvalues --    1.62653   1.63023   1.64457   1.67926   1.68423
 Alpha virt. eigenvalues --    1.70928   1.74064   1.75322   1.76357   1.78453
 Alpha virt. eigenvalues --    1.79433   1.81674   1.82546   1.83954   1.84839
 Alpha virt. eigenvalues --    1.86789   1.88886   1.90538   1.91009   1.91298
 Alpha virt. eigenvalues --    1.91755   1.93795   1.95516   1.96647   1.97616
 Alpha virt. eigenvalues --    1.99435   1.99997   2.00474   2.00969   2.01370
 Alpha virt. eigenvalues --    2.02704   2.04180   2.05973   2.06930   2.08524
 Alpha virt. eigenvalues --    2.10032   2.11623   2.12056   2.13105   2.14121
 Alpha virt. eigenvalues --    2.14851   2.17570   2.17940   2.20666   2.20862
 Alpha virt. eigenvalues --    2.21274   2.22825   2.23805   2.25952   2.27089
 Alpha virt. eigenvalues --    2.27429   2.29385   2.29750   2.32489   2.33015
 Alpha virt. eigenvalues --    2.33624   2.34721   2.36164   2.36961   2.39049
 Alpha virt. eigenvalues --    2.40640   2.42314   2.43252   2.45484   2.47407
 Alpha virt. eigenvalues --    2.48092   2.49923   2.51995   2.54164   2.56467
 Alpha virt. eigenvalues --    2.58242   2.59333   2.62364   2.63298   2.65517
 Alpha virt. eigenvalues --    2.67241   2.68126   2.69387   2.72010   2.73309
 Alpha virt. eigenvalues --    2.74810   2.75797   2.76707   2.78349   2.81718
 Alpha virt. eigenvalues --    2.82613   2.85399   2.86176   2.90326   2.92055
 Alpha virt. eigenvalues --    2.93726   3.02460   3.04270   3.06945   3.08269
 Alpha virt. eigenvalues --    3.10965   3.12376   3.12604   3.15903   3.16218
 Alpha virt. eigenvalues --    3.19373   3.21051   3.22739   3.24329   3.25049
 Alpha virt. eigenvalues --    3.26506   3.27868   3.31492   3.32609   3.35439
 Alpha virt. eigenvalues --    3.37613   3.40021   3.56402   3.99298
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.892049  -0.336077  -0.745916  -0.078263  -0.083503   0.386143
     2  C   -0.336077   5.263364   0.253334  -0.013689  -0.244353   0.088873
     3  C   -0.745916   0.253334   7.596019   0.005213  -1.561509   0.177279
     4  O   -0.078263  -0.013689   0.005213   8.063582   0.248580  -0.041886
     5  C   -0.083503  -0.244353  -1.561509   0.248580  15.006095  -1.410120
     6  C    0.386143   0.088873   0.177279  -0.041886  -1.410120   6.766304
     7  C    0.530732  -0.128509  -0.304177   0.009827   0.099106   0.222460
     8  C   -0.998862   0.042065   0.042272   0.011487  -0.011336  -0.043436
     9  H    0.153384   0.118085  -0.038311   0.011679  -0.217876   0.101714
    10  H   -0.101462   0.020786   0.009265   0.005083   0.062820  -0.102190
    11  C   -0.013517   0.001648   0.101365  -0.061557  -0.705889   0.003319
    12  C   -0.171730   0.031723   0.263990  -0.091109  -1.558943   0.084908
    13  C   -0.670635  -0.088367  -0.016847   0.022900  -0.004323  -0.237809
    14  H   -0.254165   0.035394   0.049221   0.001912  -0.186222  -0.025189
    15  H    0.026432  -0.020373   0.041516  -0.004789  -0.035234   0.131796
    16  H   -0.118254   0.075691  -0.059206   0.005042   0.128138  -0.214116
    17  H    0.184275   0.003994  -0.010101   0.006318   0.001648   0.001161
    18  H    0.130549  -0.016834  -0.011231   0.011238  -0.004143  -0.000593
    19  H    0.267767  -0.018972  -0.001843  -0.022054   0.007584  -0.002995
    20  H    0.002951  -0.000768  -0.155359   0.042281   0.270689  -0.104120
    21  H   -0.026450   0.000803   0.076336  -0.022619   0.021643   0.052285
    22  H    0.003075  -0.000391   0.019933  -0.002986   0.062550   0.033877
    23  H   -0.047741  -0.010749  -0.007531   0.015814  -0.009693  -0.069279
    24  H    0.014407   0.009660   0.007308   0.005017  -0.043288   0.062782
    25  H    0.015590  -0.003431  -0.001889  -0.028055   0.314754   0.000466
    26  H   -0.090334   0.080809   0.109209  -0.048755  -0.081924  -0.100381
    27  H    0.237517  -0.104514  -0.016804   0.011826   0.162230  -0.096939
               7          8          9         10         11         12
     1  C    0.530732  -0.998862   0.153384  -0.101462  -0.013517  -0.171730
     2  C   -0.128509   0.042065   0.118085   0.020786   0.001648   0.031723
     3  C   -0.304177   0.042272  -0.038311   0.009265   0.101365   0.263990
     4  O    0.009827   0.011487   0.011679   0.005083  -0.061557  -0.091109
     5  C    0.099106  -0.011336  -0.217876   0.062820  -0.705889  -1.558943
     6  C    0.222460  -0.043436   0.101714  -0.102190   0.003319   0.084908
     7  C    5.197235  -0.048267  -0.059619  -0.120450   0.025097  -0.129016
     8  C   -0.048267   5.199179  -0.012969   0.029659   0.007119  -0.000160
     9  H   -0.059619  -0.012969   1.772633  -0.622500   0.006133   0.028825
    10  H   -0.120450   0.029659  -0.622500   1.957205  -0.002951  -0.005373
    11  C    0.025097   0.007119   0.006133  -0.002951   4.976917  -0.081321
    12  C   -0.129016  -0.000160   0.028825  -0.005373  -0.081321   5.540062
    13  C   -0.214583   0.095312   0.008855   0.101799  -0.111845   0.079038
    14  H   -0.347697   0.008315   0.004550   0.008013  -0.053815   0.133536
    15  H    0.296515  -0.012722   0.141055  -0.360386   0.002911   0.005823
    16  H    0.099977   0.006732  -0.308046   0.213586  -0.007708  -0.058013
    17  H   -0.001229   0.105449  -0.002034   0.007892  -0.000751   0.000278
    18  H   -0.000951   0.155735  -0.012024   0.019169   0.000438  -0.000001
    19  H    0.000853   0.119436   0.005719  -0.022501   0.000339  -0.000436
    20  H   -0.002100  -0.004304   0.000814  -0.000291   0.330233  -0.022568
    21  H   -0.002913   0.002634   0.000200  -0.000035  -0.087431   0.085208
    22  H    0.000663   0.000125   0.000296  -0.000030   0.020408   0.001367
    23  H   -0.011933  -0.000008   0.017088   0.001526  -0.010327   0.319128
    24  H   -0.021710  -0.000448   0.002845  -0.000948   0.027973   0.071658
    25  H    0.010029  -0.000064  -0.001817   0.000129   0.019607  -0.089337
    26  H    0.064779  -0.008957  -0.006972  -0.003302  -0.068059   0.002231
    27  H   -0.096365   0.017874   0.001029   0.008765   0.003246  -0.004760
              13         14         15         16         17         18
     1  C   -0.670635  -0.254165   0.026432  -0.118254   0.184275   0.130549
     2  C   -0.088367   0.035394  -0.020373   0.075691   0.003994  -0.016834
     3  C   -0.016847   0.049221   0.041516  -0.059206  -0.010101  -0.011231
     4  O    0.022900   0.001912  -0.004789   0.005042   0.006318   0.011238
     5  C   -0.004323  -0.186222  -0.035234   0.128138   0.001648  -0.004143
     6  C   -0.237809  -0.025189   0.131796  -0.214116   0.001161  -0.000593
     7  C   -0.214583  -0.347697   0.296515   0.099977  -0.001229  -0.000951
     8  C    0.095312   0.008315  -0.012722   0.006732   0.105449   0.155735
     9  H    0.008855   0.004550   0.141055  -0.308046  -0.002034  -0.012024
    10  H    0.101799   0.008013  -0.360386   0.213586   0.007892   0.019169
    11  C   -0.111845  -0.053815   0.002911  -0.007708  -0.000751   0.000438
    12  C    0.079038   0.133536   0.005823  -0.058013   0.000278  -0.000001
    13  C    5.668179   0.169969  -0.127052   0.126631  -0.006860   0.000650
    14  H    0.169969   2.179740  -0.082095   0.017519   0.000641   0.000739
    15  H   -0.127052  -0.082095   1.773457  -0.702709  -0.000325  -0.001368
    16  H    0.126631   0.017519  -0.702709   2.113441   0.000275   0.000394
    17  H   -0.006860   0.000641  -0.000325   0.000275   0.681255  -0.075152
    18  H    0.000650   0.000739  -0.001368   0.000394  -0.075152   0.725400
    19  H   -0.006218  -0.000058   0.000279   0.000228  -0.017343  -0.043604
    20  H    0.008963  -0.009676   0.000296   0.000035   0.000308  -0.000079
    21  H    0.015378   0.014747   0.000106  -0.000615   0.000158   0.000012
    22  H   -0.005169  -0.023761   0.000316  -0.002580  -0.000022  -0.000028
    23  H    0.011828   0.011354   0.000151  -0.018303   0.000033  -0.000006
    24  H   -0.013553   0.023489   0.001329  -0.018227  -0.000034   0.000001
    25  H   -0.005700  -0.002287  -0.000253   0.004826   0.000013   0.000009
    26  H   -0.120668  -0.039010   0.009858  -0.003029   0.011467  -0.003828
    27  H    0.126787  -0.038782  -0.014822   0.018735  -0.010821  -0.002952
              19         20         21         22         23         24
     1  C    0.267767   0.002951  -0.026450   0.003075  -0.047741   0.014407
     2  C   -0.018972  -0.000768   0.000803  -0.000391  -0.010749   0.009660
     3  C   -0.001843  -0.155359   0.076336   0.019933  -0.007531   0.007308
     4  O   -0.022054   0.042281  -0.022619  -0.002986   0.015814   0.005017
     5  C    0.007584   0.270689   0.021643   0.062550  -0.009693  -0.043288
     6  C   -0.002995  -0.104120   0.052285   0.033877  -0.069279   0.062782
     7  C    0.000853  -0.002100  -0.002913   0.000663  -0.011933  -0.021710
     8  C    0.119436  -0.004304   0.002634   0.000125  -0.000008  -0.000448
     9  H    0.005719   0.000814   0.000200   0.000296   0.017088   0.002845
    10  H   -0.022501  -0.000291  -0.000035  -0.000030   0.001526  -0.000948
    11  C    0.000339   0.330233  -0.087431   0.020408  -0.010327   0.027973
    12  C   -0.000436  -0.022568   0.085208   0.001367   0.319128   0.071658
    13  C   -0.006218   0.008963   0.015378  -0.005169   0.011828  -0.013553
    14  H   -0.000058  -0.009676   0.014747  -0.023761   0.011354   0.023489
    15  H    0.000279   0.000296   0.000106   0.000316   0.000151   0.001329
    16  H    0.000228   0.000035  -0.000615  -0.002580  -0.018303  -0.018227
    17  H   -0.017343   0.000308   0.000158  -0.000022   0.000033  -0.000034
    18  H   -0.043604  -0.000079   0.000012  -0.000028  -0.000006   0.000001
    19  H    0.611563  -0.000127   0.000088  -0.000014  -0.000212  -0.000016
    20  H   -0.000127   1.278809  -0.230359  -0.206926  -0.005249   0.008519
    21  H    0.000088  -0.230359   0.908746  -0.018889   0.009623  -0.014419
    22  H   -0.000014  -0.206926  -0.018889   0.883663   0.006602   0.015087
    23  H   -0.000212  -0.005249   0.009623   0.006602   1.174945  -0.167258
    24  H   -0.000016   0.008519  -0.014419   0.015087  -0.167258   1.042401
    25  H   -0.000099  -0.002109   0.014045  -0.029895  -0.156627  -0.107241
    26  H    0.002110  -0.080785   0.008418   0.018270   0.001799  -0.002779
    27  H    0.000489   0.012820  -0.001433  -0.001872  -0.000151   0.000584
              25         26         27
     1  C    0.015590  -0.090334   0.237517
     2  C   -0.003431   0.080809  -0.104514
     3  C   -0.001889   0.109209  -0.016804
     4  O   -0.028055  -0.048755   0.011826
     5  C    0.314754  -0.081924   0.162230
     6  C    0.000466  -0.100381  -0.096939
     7  C    0.010029   0.064779  -0.096365
     8  C   -0.000064  -0.008957   0.017874
     9  H   -0.001817  -0.006972   0.001029
    10  H    0.000129  -0.003302   0.008765
    11  C    0.019607  -0.068059   0.003246
    12  C   -0.089337   0.002231  -0.004760
    13  C   -0.005700  -0.120668   0.126787
    14  H   -0.002287  -0.039010  -0.038782
    15  H   -0.000253   0.009858  -0.014822
    16  H    0.004826  -0.003029   0.018735
    17  H    0.000013   0.011467  -0.010821
    18  H    0.000009  -0.003828  -0.002952
    19  H   -0.000099   0.002110   0.000489
    20  H   -0.002109  -0.080785   0.012820
    21  H    0.014045   0.008418  -0.001433
    22  H   -0.029895   0.018270  -0.001872
    23  H   -0.156627   0.001799  -0.000151
    24  H   -0.107241  -0.002779   0.000584
    25  H    0.860569  -0.000752  -0.000009
    26  H   -0.000752   2.371911  -0.764271
    27  H   -0.000009  -0.764271   1.766328
 Mulliken charges:
               1
     1  C   -3.107960
     2  C    0.960798
     3  C    0.178467
     4  O   -0.062038
     5  C   -4.227481
     6  C    0.335685
     7  C    0.932248
     8  C    1.298139
     9  H   -0.092736
    10  H   -0.103280
    11  C    1.678417
    12  C    1.564989
    13  C    1.193343
    14  H   -0.596382
    15  H   -0.069713
    16  H   -0.300445
    17  H    0.119509
    18  H    0.128458
    19  H    0.120038
    20  H   -0.131898
    21  H    0.194734
    22  H    0.226332
    23  H   -0.054824
    24  H    0.096861
    25  H    0.189528
    26  H   -0.257054
    27  H   -0.213736
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -3.107960
     2  C    0.764782
     3  C    0.178467
     4  O   -0.062038
     5  C   -4.227481
     6  C   -0.260697
     7  C    0.562090
     8  C    1.666144
    11  C    1.967585
    12  C    1.796555
    13  C    0.722553
 Electronic spatial extent (au):  <R**2>=           1533.5273
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.1296    Y=              2.8385    Z=              1.4038  Tot=              3.1694
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -65.8986   YY=            -74.7504   ZZ=            -68.8221
   XY=              0.1747   XZ=             -0.1657   YZ=             -3.6539
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.9251   YY=             -4.9267   ZZ=              1.0016
   XY=              0.1747   XZ=             -0.1657   YZ=             -3.6539
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.8069  YYY=             11.1193  ZZZ=             -2.2638  XYY=              1.0435
  XXY=             -0.9712  XXZ=             -0.7166  XZZ=              0.2914  YZZ=              0.9430
  YYZ=              8.7027  XYZ=              0.4154
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1015.6578 YYYY=           -677.1091 ZZZZ=           -425.2195 XXXY=              4.6308
 XXXZ=             -1.0651 YYYX=              3.1874 YYYZ=             -9.3432 ZZZX=             -0.5889
 ZZZY=             -0.9089 XXYY=           -270.5519 XXZZ=           -243.8468 YYZZ=           -184.0180
 XXYZ=              6.9934 YYXZ=              1.4044 ZZXY=             -2.2425
 N-N= 6.829977865711D+02 E-N=-2.443446226986D+03  KE= 4.595231139490D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 19:56:38 2021, MaxMem= 17179869184 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.82447321D-02 1.04099750D+00 5.10077616D-01
 Polarizability= 1.21387498D+02 3.37562485D-01 1.11184692D+02
                -3.60707790D-01 3.24921191D-01 1.02705121D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.1782    0.1818        0.1614    0.1596
 2     -0.1782   -0.1818       -0.4313   -0.4333       -4.6546   -4.6447
 3     -0.1614   -0.1596        9.2563    9.2464        0.4258    0.4333
 4      0.4313    0.4333        0.0000    0.0000       -0.1612   -0.1596
 5     -4.6017   -4.6017        0.1612    0.1596        0.1760    0.1818
 6     -0.4258   -0.4333       -0.1760   -0.1818        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.5455   -0.5455        0.4789    0.4789
 2      1.2998    1.2998       -0.0000    0.0000        0.4789    0.4789
 3      1.2998    1.2998       -0.5455   -0.5455        0.0000    0.0000
 4     -0.5455   -0.5455       -1.2998   -1.2998      -13.9341  -13.9341
 5     -0.4789   -0.4789       27.7392   27.7392        1.2998    1.2998
 6    -13.8051  -13.8051        0.4789    0.4789        0.5455    0.5455
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0566    0.0000       -0.4944   -0.7274       -0.6517   -0.6385
 2      1.4381    0.7274        1.6099    1.7331       18.8742   18.5788
 3      0.5693    0.6385      -36.4365  -36.9856       -1.7669   -1.7331
 4     -1.8387   -1.7331       -0.2150    0.0000        0.7589    0.6385
 5     18.3919   18.4068       -0.3186   -0.6385       -0.6796   -0.7274
 6      1.8047    1.7331        0.5029    0.7274        0.0571    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1403    0.0000        4.0935    4.0604       -0.4708   -0.4897
 2     -4.6085   -4.0604       -6.8647   -7.2158        3.8844    4.0276
 3      0.3448    0.4897       -7.6571   -7.5000        7.2186    7.2158
 4      6.9533    7.2158       -0.2510    0.0000        0.9566    0.4897
 5      3.9408    3.4723        0.1317   -0.4897        4.5635    4.0604
 6     -7.3767   -7.2158       -3.8138   -4.0604       -0.1345    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     14.6228   14.5418        4.8818    4.6674       22.6583   22.6618
 2     22.0923   21.8540        6.7239    6.6248       23.1090   22.6618
 3     21.7126   21.8540        4.8259    4.6674       25.4481   24.7909
 4     -2.3206   -1.9574       -7.5337   -7.3123       -2.7922   -2.5367
 5      1.9030    2.1291        1.3500    1.2846        6.5612    7.3123
 6      1.7646    1.2521       -1.9767   -2.1291        2.2959    1.9574
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.4005   -0.0007   -0.0006   -0.0003    3.7544   15.3380
 Low frequencies ---   85.8825  183.8728  192.4763
 Diagonal vibrational polarizability:
        6.0533555       4.7483213       9.1681537
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.8818               183.8699               192.4735
 Red. masses --      3.9284                 1.5182                 1.1173
 Frc consts  --      0.0171                 0.0302                 0.0244
 IR Inten    --      2.3323                 1.0316                 0.0375
 RamAct Fr= 1--      0.1788                 0.3980                 0.1075
  Dep-P Fr= 1--      0.7498                 0.7259                 0.5610
  Dep-U Fr= 1--      0.8570                 0.8412                 0.7188
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0004
 Beta2  Fr= 1--      0.0255                 0.0558                 0.0129
 AlphaG Fr= 1--     -0.0002                 0.0009                 0.0045
 Gamma2 Fr= 1--      0.1080                 0.1744                -0.0530
 Delta2 Fr= 1--      0.0350                 0.1372                -0.0529
 Raman1 Fr= 1--       0.715                  1.592                  0.430
 ROA1   Fr= 1--      11.490                 21.132                 -6.784
 CID1   Fr= 1--      16.061                 13.275                -15.774
 Raman2 Fr= 1--       0.307                  0.670                  0.155
 ROA2   Fr= 1--       2.312                  3.088                 -0.849
 CID2   Fr= 1--       7.543                  4.612                 -5.492
 Raman3 Fr= 1--       0.613                  1.339                  0.309
 ROA3   Fr= 1--      11.490                 21.132                 -6.784
 CID3   Fr= 1--      18.741                 15.781                -21.947
 RC180  Fr= 1--       0.714                  0.682                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.06    -0.00   0.01  -0.02     0.00   0.00  -0.01
     2   6    -0.09   0.05  -0.03     0.05   0.03   0.02     0.04   0.02   0.03
     3   6     0.00  -0.05   0.06    -0.01   0.01  -0.02    -0.00   0.00  -0.00
     4   8    -0.02  -0.15   0.25    -0.01  -0.06   0.11     0.00   0.01  -0.02
     5   6     0.01   0.00  -0.01    -0.01   0.02  -0.04    -0.00  -0.01   0.02
     6   6     0.01  -0.03   0.06    -0.00   0.02  -0.03     0.00  -0.01  -0.00
     7   6    -0.02   0.05   0.11     0.03   0.02  -0.01    -0.02  -0.01  -0.02
     8   6     0.05   0.07  -0.18    -0.02  -0.01  -0.00    -0.00  -0.01  -0.03
     9   1    -0.21   0.08  -0.03     0.10   0.07   0.00     0.13   0.05   0.02
    10   1    -0.07   0.03  -0.14     0.05   0.03   0.08     0.02   0.05   0.13
    11   6    -0.13   0.04  -0.09     0.06  -0.05  -0.03    -0.02   0.03   0.03
    12   6     0.14   0.05  -0.10    -0.07   0.03   0.02     0.00  -0.03   0.00
    13   6     0.03  -0.06  -0.00    -0.02  -0.00  -0.02    -0.00  -0.01  -0.00
    14   1     0.02  -0.09   0.12    -0.01   0.02  -0.03     0.00  -0.00  -0.00
    15   1     0.04  -0.01   0.18     0.01   0.02   0.01    -0.08   0.03  -0.06
    16   1    -0.05   0.16   0.18     0.06   0.03  -0.03    -0.03  -0.09  -0.05
    17   1     0.13   0.02  -0.22    -0.18  -0.22  -0.26    -0.15  -0.27  -0.34
    18   1     0.04   0.09  -0.19    -0.09  -0.09   0.35    -0.08  -0.09   0.37
    19   1     0.03   0.14  -0.22     0.20   0.26  -0.09     0.23   0.33  -0.15
    20   1    -0.24   0.10  -0.01     0.17  -0.29  -0.16    -0.10   0.27   0.14
    21   1    -0.06   0.02  -0.09    -0.11   0.06  -0.14     0.16  -0.08   0.15
    22   1    -0.17   0.05  -0.24     0.18   0.01   0.21    -0.14  -0.04  -0.17
    23   1     0.26  -0.03  -0.07    -0.18   0.30   0.08     0.05  -0.26  -0.08
    24   1     0.19   0.14  -0.20    -0.22  -0.20   0.14     0.14   0.16  -0.07
    25   1     0.08   0.09  -0.11     0.13  -0.02  -0.14    -0.18   0.00   0.16
    26   1     0.05  -0.13  -0.05    -0.03   0.00  -0.02    -0.01  -0.01  -0.00
    27   1     0.03  -0.09   0.03    -0.01  -0.01  -0.01     0.00  -0.01   0.00
                      4                      5                      6
                      A                      A                      A
 Frequencies --    201.9105               211.2997               230.9026
 Red. masses --      1.7345                 1.7310                 1.2160
 Frc consts  --      0.0417                 0.0455                 0.0382
 IR Inten    --      0.6718                 0.6538                 0.8343
 RamAct Fr= 1--      0.7224                 0.2960                 0.1933
  Dep-P Fr= 1--      0.7494                 0.7443                 0.6049
  Dep-U Fr= 1--      0.8567                 0.8534                 0.7538
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      0.1031                 0.0421                 0.0243
 AlphaG Fr= 1--      0.0000                 0.0003                 0.0014
 Gamma2 Fr= 1--     -0.1037                 0.1863                 0.0082
 Delta2 Fr= 1--     -0.1370                 0.0324                -0.0603
 Raman1 Fr= 1--       2.890                  1.184                  0.773
 ROA1   Fr= 1--     -14.336                 18.920                 -1.147
 CID1   Fr= 1--      -4.961                 15.981                 -1.484
 Raman2 Fr= 1--       1.238                  0.505                  0.291
 ROA2   Fr= 1--      -1.392                  4.212                  0.678
 CID2   Fr= 1--      -1.124                  8.337                  2.327
 Raman3 Fr= 1--       2.476                  1.010                  0.583
 ROA3   Fr= 1--     -14.336                 18.920                 -1.147
 CID3   Fr= 1--      -5.791                 18.726                 -1.968
 RC180  Fr= 1--       0.713                  0.707                  0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01    -0.01  -0.03   0.02    -0.00  -0.00  -0.00
     2   6     0.00  -0.01  -0.02    -0.10  -0.10  -0.08    -0.04  -0.04  -0.05
     3   6     0.00  -0.00  -0.02     0.00  -0.04   0.01    -0.00   0.01   0.00
     4   8     0.01  -0.04   0.06    -0.00   0.01  -0.08    -0.03   0.02   0.01
     5   6     0.00   0.00  -0.02     0.01  -0.01   0.01     0.01   0.02   0.00
     6   6    -0.00  -0.01  -0.01     0.01  -0.01   0.02     0.01   0.02   0.01
     7   6    -0.02  -0.02  -0.04     0.01  -0.02   0.01     0.04   0.02   0.02
     8   6     0.00   0.01   0.06     0.07   0.09   0.08    -0.01  -0.00   0.04
     9   1     0.02  -0.02  -0.02    -0.29  -0.18  -0.03    -0.17  -0.08  -0.03
    10   1    -0.01   0.01  -0.01    -0.07  -0.13  -0.30    -0.01  -0.07  -0.18
    11   6     0.05  -0.12  -0.07    -0.03   0.03   0.01     0.03  -0.06  -0.03
    12   6    -0.05   0.16   0.05     0.03   0.05   0.01    -0.00   0.01   0.01
    13   6    -0.00   0.01  -0.02     0.01  -0.00   0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.00  -0.02     0.01  -0.01   0.01     0.02   0.03   0.01
    15   1    -0.04   0.00  -0.06     0.11  -0.08   0.04     0.12  -0.04   0.06
    16   1    -0.03  -0.05  -0.04    -0.01   0.08   0.06     0.04   0.11   0.05
    17   1     0.01   0.09   0.14     0.03  -0.08  -0.12    -0.06  -0.03   0.01
    18   1     0.00   0.04  -0.00    -0.07   0.16   0.40    -0.03  -0.01   0.13
    19   1     0.00  -0.09   0.11     0.36   0.33   0.03     0.06   0.03   0.04
    20   1     0.05  -0.09  -0.06     0.03  -0.18  -0.07    -0.09   0.31   0.13
    21   1     0.18  -0.14  -0.12    -0.25   0.14  -0.06     0.45  -0.25   0.06
    22   1    -0.03  -0.24  -0.07     0.12   0.16   0.16    -0.24  -0.31  -0.33
    23   1    -0.01  -0.15  -0.07     0.07   0.03   0.02    -0.06   0.24   0.09
    24   1     0.26   0.51   0.09     0.08   0.10   0.01    -0.16  -0.19   0.08
    25   1    -0.47   0.31   0.23    -0.03   0.09  -0.01     0.20  -0.04  -0.13
    26   1     0.01   0.02  -0.01     0.02   0.01   0.02     0.02   0.02   0.00
    27   1     0.00   0.02  -0.03     0.02   0.00  -0.02     0.02   0.01  -0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    261.9692               294.6577               301.5279
 Red. masses --      2.2925                 3.5742                 2.4436
 Frc consts  --      0.0927                 0.1828                 0.1309
 IR Inten    --      0.2854                 5.0270                 0.6846
 RamAct Fr= 1--      1.1878                 0.9388                 0.6139
  Dep-P Fr= 1--      0.4521                 0.6093                 0.7455
  Dep-U Fr= 1--      0.6227                 0.7572                 0.8542
 Alpha2 Fr= 1--      0.0072                 0.0024                 0.0000
 Beta2  Fr= 1--      0.1233                 0.1185                 0.0874
 AlphaG Fr= 1--     -0.0023                 0.0023                 0.0000
 Gamma2 Fr= 1--      0.0647                 0.1136                -0.6547
 Delta2 Fr= 1--      0.0748                 0.1716                -0.0656
 Raman1 Fr= 1--       4.751                  3.755                  2.456
 ROA1   Fr= 1--       8.607                 16.395                -64.948
 CID1   Fr= 1--       1.812                  4.366                -26.448
 Raman2 Fr= 1--       1.479                  1.422                  1.049
 ROA2   Fr= 1--       0.954                  1.353                -15.187
 CID2   Fr= 1--       0.645                  0.952                -14.480
 Raman3 Fr= 1--       2.959                  2.843                  2.098
 ROA3   Fr= 1--       8.607                 16.395                -64.948
 CID3   Fr= 1--       2.909                  5.766                -30.962
 RC180  Fr= 1--       0.245                  0.514                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.04     0.02   0.02   0.05    -0.02   0.02  -0.09
     2   6     0.08   0.01   0.04    -0.03  -0.05  -0.04    -0.05   0.08  -0.05
     3   6    -0.01  -0.05  -0.06     0.07  -0.01   0.02     0.01  -0.02  -0.08
     4   8    -0.05  -0.07  -0.01     0.32  -0.02  -0.00     0.07  -0.07  -0.00
     5   6    -0.02  -0.01  -0.03    -0.02  -0.03  -0.01     0.01  -0.02  -0.06
     6   6     0.01  -0.04  -0.03    -0.02  -0.02  -0.02    -0.01  -0.03  -0.01
     7   6     0.05  -0.02   0.00    -0.00  -0.03  -0.02     0.01   0.10   0.11
     8   6     0.14   0.14   0.03    -0.05  -0.08  -0.07    -0.09  -0.05   0.11
     9   1     0.19   0.08   0.01    -0.13  -0.14   0.00    -0.19   0.16  -0.06
    10   1     0.07   0.01   0.18    -0.03  -0.04  -0.17    -0.03   0.05  -0.14
    11   6    -0.05   0.09   0.02    -0.14   0.09  -0.02     0.10   0.09   0.08
    12   6    -0.12   0.03   0.05    -0.12   0.10   0.09    -0.03  -0.03  -0.03
    13   6    -0.04  -0.10  -0.03    -0.01   0.02   0.03    -0.03  -0.07  -0.06
    14   1     0.02  -0.03  -0.03    -0.04  -0.02  -0.05    -0.04  -0.10   0.03
    15   1     0.00  -0.01   0.02     0.03  -0.06   0.00     0.09  -0.01   0.27
    16   1     0.07  -0.03  -0.02     0.01   0.01  -0.01     0.03   0.28   0.17
    17   1     0.32   0.24   0.18    -0.09  -0.15  -0.15    -0.28   0.05   0.19
    18   1     0.04   0.35  -0.10     0.03  -0.21  -0.07    -0.08  -0.10   0.19
    19   1     0.19   0.03   0.10    -0.17  -0.01  -0.13     0.02  -0.19   0.21
    20   1    -0.13   0.27   0.10    -0.25   0.17   0.08     0.18   0.22   0.06
    21   1     0.02   0.01   0.14    -0.14   0.06   0.06     0.05   0.04   0.26
    22   1    -0.10   0.10  -0.16    -0.14   0.16  -0.20     0.14   0.14   0.08
    23   1    -0.24   0.18   0.05    -0.25   0.34   0.13    -0.01  -0.18  -0.10
    24   1    -0.17  -0.09   0.21    -0.15  -0.03   0.33     0.08   0.09  -0.06
    25   1    -0.07   0.02  -0.01    -0.09   0.14  -0.06    -0.16  -0.01   0.08
    26   1    -0.09  -0.15  -0.09    -0.03   0.02   0.02    -0.00  -0.13  -0.12
    27   1    -0.03  -0.15   0.06    -0.06   0.05   0.05    -0.02  -0.10  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    328.3508               373.0568               425.6878
 Red. masses --      2.3241                 2.1755                 2.9510
 Frc consts  --      0.1476                 0.1784                 0.3151
 IR Inten    --      0.1815                 0.3341                 0.7580
 RamAct Fr= 1--      0.1999                 1.1087                 1.7269
  Dep-P Fr= 1--      0.6116                 0.3191                 0.6774
  Dep-U Fr= 1--      0.7590                 0.4839                 0.8077
 Alpha2 Fr= 1--      0.0005                 0.0107                 0.0022
 Beta2  Fr= 1--      0.0253                 0.0894                 0.2325
 AlphaG Fr= 1--     -0.0012                 0.0358                 0.0110
 Gamma2 Fr= 1--      0.0674                 0.2343                 0.3699
 Delta2 Fr= 1--      0.0068                 0.0429                 0.1121
 Raman1 Fr= 1--       0.800                  4.435                  6.907
 ROA1   Fr= 1--       6.689                 23.863                 39.095
 CID1   Fr= 1--       8.366                  5.381                  5.660
 Raman2 Fr= 1--       0.303                  1.073                  2.790
 ROA2   Fr= 1--       1.564                  5.280                  7.980
 CID2   Fr= 1--       5.155                  4.921                  2.861
 Raman3 Fr= 1--       0.607                  2.146                  5.579
 ROA3   Fr= 1--       6.689                 23.863                 39.095
 CID3   Fr= 1--      11.022                 11.121                  7.007
 RC180  Fr= 1--       0.518                 -0.032                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03   0.11    -0.04  -0.04   0.03    -0.05   0.04  -0.06
     2   6    -0.02  -0.09   0.05    -0.05  -0.01   0.05     0.10   0.03  -0.03
     3   6    -0.01  -0.00   0.02    -0.00  -0.05  -0.02    -0.04  -0.05   0.01
     4   8     0.02  -0.00   0.01     0.01  -0.05  -0.03     0.03  -0.03  -0.03
     5   6    -0.01   0.02  -0.07     0.01  -0.02  -0.03    -0.07  -0.11   0.11
     6   6    -0.04   0.04  -0.06    -0.04  -0.03  -0.01    -0.04   0.00  -0.09
     7   6     0.11   0.03   0.04    -0.12  -0.05  -0.04     0.14   0.04  -0.02
     8   6     0.01   0.05  -0.12    -0.01  -0.00  -0.01    -0.07   0.06  -0.02
     9   1    -0.13  -0.17   0.09     0.10   0.01   0.03     0.14   0.08  -0.05
    10   1     0.04  -0.19  -0.07    -0.08   0.04   0.19     0.14  -0.05   0.05
    11   6     0.13   0.01   0.02     0.12   0.05   0.09    -0.10  -0.12   0.15
    12   6    -0.05  -0.02  -0.05     0.11   0.16  -0.05     0.12   0.04   0.05
    13   6    -0.13   0.01   0.08    -0.03   0.00   0.01    -0.07   0.05  -0.07
    14   1    -0.10   0.06  -0.13    -0.08  -0.07  -0.02    -0.04   0.07  -0.15
    15   1     0.22  -0.07   0.15    -0.21   0.03  -0.15     0.19  -0.09   0.22
    16   1     0.20   0.18   0.02    -0.15  -0.18  -0.07     0.29   0.30  -0.05
    17   1     0.24  -0.05  -0.19     0.04  -0.02  -0.02    -0.06   0.08  -0.01
    18   1     0.02   0.09  -0.25    -0.02   0.02  -0.03    -0.09   0.09  -0.02
    19   1    -0.15   0.18  -0.22    -0.03   0.02  -0.03    -0.04   0.05  -0.01
    20   1     0.23   0.09  -0.02     0.22   0.25   0.07    -0.10  -0.14   0.15
    21   1     0.18  -0.04   0.10     0.17  -0.05   0.28    -0.09  -0.12   0.12
    22   1     0.11  -0.05   0.09     0.10   0.03   0.08    -0.12  -0.15   0.15
    23   1    -0.04  -0.18  -0.13     0.18   0.41   0.13     0.33   0.12   0.23
    24   1     0.05   0.11  -0.09     0.02   0.02   0.02     0.15   0.10  -0.01
    25   1    -0.19  -0.01   0.08     0.24   0.20  -0.35     0.08   0.14  -0.19
    26   1    -0.22   0.04   0.08    -0.01   0.05   0.06    -0.09   0.05  -0.08
    27   1    -0.14  -0.00   0.13    -0.03   0.02  -0.05    -0.08   0.05  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    450.9906               512.4600               525.1648
 Red. masses --      2.0847                 3.1654                 3.2293
 Frc consts  --      0.2498                 0.4898                 0.5247
 IR Inten    --      0.5135                 2.4882                 2.2744
 RamAct Fr= 1--      1.4710                 1.2120                 1.5374
  Dep-P Fr= 1--      0.2082                 0.5896                 0.2576
  Dep-U Fr= 1--      0.3446                 0.7418                 0.4096
 Alpha2 Fr= 1--      0.0195                 0.0036                 0.0178
 Beta2  Fr= 1--      0.0845                 0.1498                 0.1050
 AlphaG Fr= 1--     -0.0313                 0.0075                 0.0357
 Gamma2 Fr= 1--     -0.3949                 0.0844                -0.1682
 Delta2 Fr= 1--     -0.1002                -0.0044                 0.0859
 Raman1 Fr= 1--       5.884                  4.848                  6.150
 ROA1   Fr= 1--     -41.115                  7.964                -13.399
 CID1   Fr= 1--      -6.988                  1.643                 -2.179
 Raman2 Fr= 1--       1.014                  1.798                  1.259
 ROA2   Fr= 1--      -8.676                  2.061                 -4.724
 CID2   Fr= 1--      -8.557                  1.146                 -3.751
 Raman3 Fr= 1--       2.028                  3.596                  2.519
 ROA3   Fr= 1--     -41.115                  7.964                -13.399
 CID3   Fr= 1--     -20.277                  2.215                 -5.319
 RC180  Fr= 1--      -0.311                  0.484                 -0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.02   0.00   0.04     0.19   0.07   0.02
     2   6    -0.01   0.01   0.08    -0.05   0.07  -0.00     0.05   0.04  -0.06
     3   6    -0.02  -0.09  -0.00     0.08  -0.09  -0.00     0.06   0.07   0.02
     4   8    -0.04  -0.07  -0.05    -0.10  -0.07  -0.05    -0.12   0.09   0.05
     5   6     0.01  -0.05  -0.05     0.18  -0.05   0.02    -0.04  -0.08  -0.04
     6   6    -0.02  -0.02  -0.01    -0.01   0.06  -0.08    -0.13  -0.12  -0.08
     7   6     0.01   0.05   0.09    -0.03   0.11  -0.05    -0.03  -0.07   0.04
     8   6     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.17  -0.12   0.01
     9   1     0.03   0.10   0.05    -0.09   0.04   0.01    -0.12  -0.05  -0.01
    10   1     0.01  -0.04   0.17    -0.04   0.06  -0.06     0.01   0.19  -0.30
    11   6    -0.02   0.01  -0.04     0.03   0.04  -0.09    -0.02  -0.01   0.06
    12   6    -0.05  -0.01  -0.01     0.11  -0.04   0.20    -0.03   0.03  -0.05
    13   6     0.11   0.18  -0.03    -0.13   0.03   0.04    -0.05   0.04   0.00
    14   1    -0.07  -0.09  -0.00    -0.14  -0.01  -0.14    -0.16  -0.11  -0.12
    15   1     0.02  -0.01   0.20    -0.04   0.11  -0.03    -0.04  -0.17   0.27
    16   1     0.08   0.15   0.06    -0.02   0.10  -0.06     0.07   0.14   0.03
    17   1     0.07  -0.05  -0.02    -0.05  -0.08  -0.05     0.04  -0.14  -0.04
    18   1     0.01  -0.00  -0.02     0.09  -0.16  -0.02     0.29  -0.30   0.01
    19   1     0.00   0.01  -0.02    -0.09  -0.03  -0.04     0.06  -0.12  -0.02
    20   1    -0.03   0.06  -0.02    -0.20  -0.06   0.03     0.03   0.09   0.05
    21   1    -0.04   0.00   0.01    -0.04   0.11  -0.19    -0.09  -0.04   0.20
    22   1    -0.01   0.06  -0.09     0.05   0.16  -0.27     0.03   0.07   0.05
    23   1    -0.09   0.01  -0.03    -0.03   0.02   0.13     0.01   0.11   0.02
    24   1    -0.01   0.00   0.08     0.18  -0.05   0.41     0.03   0.07   0.03
    25   1    -0.10   0.01   0.00     0.03  -0.00   0.21    -0.10   0.11  -0.16
    26   1     0.35   0.43   0.25    -0.36   0.00  -0.06     0.01  -0.01  -0.02
    27   1     0.12   0.38  -0.44    -0.13  -0.08   0.22    -0.27   0.22   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    600.0471               665.9029               724.8237
 Red. masses --      3.7208                 3.3856                 4.5367
 Frc consts  --      0.7893                 0.8845                 1.4043
 IR Inten    --      0.6131                 1.7742                 0.6350
 RamAct Fr= 1--     13.3655                11.7396                 3.6188
  Dep-P Fr= 1--      0.0526                 0.0708                 0.3327
  Dep-U Fr= 1--      0.0999                 0.1322                 0.4993
 Alpha2 Fr= 1--      0.2624                 0.2206                 0.0336
 Beta2  Fr= 1--      0.2226                 0.2587                 0.3011
 AlphaG Fr= 1--     -0.0453                -0.0916                -0.0056
 Gamma2 Fr= 1--     -0.0323                -0.4833                -0.3991
 Delta2 Fr= 1--     -0.1666                 0.0558                 0.7361
 Raman1 Fr= 1--      53.462                 46.959                 14.475
 ROA1   Fr= 1--      -8.433                -44.613                -14.761
 CID1   Fr= 1--      -0.158                 -0.950                 -1.020
 Raman2 Fr= 1--       2.672                  3.104                  3.614
 ROA2   Fr= 1--       0.558                -12.046                -15.469
 CID2   Fr= 1--       0.209                 -3.881                 -4.281
 Raman3 Fr= 1--       5.343                  6.209                  7.227
 ROA3   Fr= 1--      -8.433                -44.613                -14.761
 CID3   Fr= 1--      -1.578                 -7.186                 -2.042
 RC180  Fr= 1--      -0.800                 -0.736                 -0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.13   0.01     0.06   0.13   0.10    -0.05  -0.06   0.07
     2   6    -0.08   0.05   0.04     0.04   0.11  -0.05    -0.09   0.04   0.05
     3   6    -0.00  -0.07   0.03    -0.01  -0.12  -0.01    -0.02   0.00   0.29
     4   8     0.06  -0.04  -0.04    -0.06  -0.12  -0.07    -0.01   0.18   0.04
     5   6    -0.10   0.09   0.05    -0.02  -0.07  -0.04     0.04  -0.15  -0.09
     6   6     0.01   0.17  -0.02     0.14   0.01   0.04     0.08  -0.08  -0.17
     7   6    -0.05   0.20  -0.04     0.05   0.07  -0.06    -0.01   0.16  -0.09
     8   6     0.22  -0.17   0.02    -0.06   0.06   0.01    -0.06   0.02   0.01
     9   1    -0.07   0.12   0.01    -0.19  -0.08   0.04     0.04   0.04   0.04
    10   1    -0.07   0.02   0.07     0.07   0.10  -0.35    -0.05  -0.07   0.21
    11   6    -0.06  -0.06   0.09    -0.05  -0.06   0.06     0.01  -0.03  -0.01
    12   6    -0.05   0.03  -0.06    -0.09   0.02  -0.12    -0.03  -0.02  -0.06
    13   6    -0.03  -0.02  -0.06     0.09   0.02   0.19     0.14  -0.14  -0.08
    14   1     0.11   0.16   0.10     0.09   0.02  -0.02     0.04  -0.23  -0.07
    15   1    -0.03   0.23  -0.13    -0.09   0.23  -0.26    -0.02   0.10   0.05
    16   1    -0.05   0.12  -0.08    -0.09  -0.20  -0.04     0.04   0.23  -0.11
    17   1     0.27  -0.17   0.03    -0.17   0.01  -0.06     0.02   0.01   0.02
    18   1     0.19  -0.12   0.02     0.10  -0.16  -0.01    -0.12   0.11   0.02
    19   1     0.26  -0.17   0.03    -0.24   0.08  -0.04    -0.02   0.05   0.01
    20   1     0.00  -0.14   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
    21   1     0.06  -0.06  -0.04    -0.07  -0.09   0.17    -0.07  -0.05   0.11
    22   1    -0.14  -0.24   0.22    -0.03  -0.04   0.09     0.08   0.08  -0.06
    23   1     0.07  -0.04  -0.02    -0.08   0.07  -0.10    -0.11   0.18  -0.01
    24   1    -0.10   0.04  -0.24    -0.07   0.03  -0.07     0.14   0.04   0.30
    25   1     0.02  -0.00  -0.06    -0.12   0.06  -0.19    -0.26   0.16  -0.23
    26   1    -0.25   0.05  -0.06    -0.02  -0.08   0.07     0.01  -0.16  -0.13
    27   1     0.06  -0.15   0.03     0.05  -0.03   0.36     0.18  -0.23   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    789.0077               831.2801               839.0778
 Red. masses --      2.6637                 1.8084                 2.4409
 Frc consts  --      0.9770                 0.7363                 1.0125
 IR Inten    --      0.3440                 3.1922                 3.1840
 RamAct Fr= 1--      0.9962                 5.5062                 2.4049
  Dep-P Fr= 1--      0.7447                 0.0520                 0.3045
  Dep-U Fr= 1--      0.8537                 0.0988                 0.4669
 Alpha2 Fr= 1--      0.0001                 0.1082                 0.0243
 Beta2  Fr= 1--      0.1417                 0.0907                 0.1871
 AlphaG Fr= 1--     -0.0001                -0.0707                 0.0344
 Gamma2 Fr= 1--      1.1312                -0.3786                -1.2469
 Delta2 Fr= 1--     -0.2331                 0.0324                -0.5281
 Raman1 Fr= 1--       3.985                 22.025                  9.620
 ROA1   Fr= 1--     101.141                -35.305               -136.597
 CID1   Fr= 1--      25.382                 -1.603                -14.200
 Raman2 Fr= 1--       1.701                  1.089                  2.246
 ROA2   Fr= 1--      29.014                 -9.345                -25.700
 CID2   Fr= 1--      17.059                 -8.585                -11.445
 Raman3 Fr= 1--       3.402                  2.177                  4.491
 ROA3   Fr= 1--     101.141                -35.305               -136.597
 CID3   Fr= 1--      29.733                -16.216                -30.415
 RC180  Fr= 1--       0.707                 -0.802                 -0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.02    -0.02  -0.02  -0.06     0.10   0.11   0.04
     2   6     0.03   0.04  -0.12    -0.05  -0.05  -0.08    -0.08  -0.13   0.14
     3   6    -0.03  -0.17   0.23     0.04   0.04  -0.03     0.10  -0.02  -0.06
     4   8     0.01  -0.02  -0.07    -0.01   0.01   0.02    -0.04  -0.04  -0.02
     5   6    -0.04   0.08   0.05     0.06  -0.08  -0.04     0.01   0.04   0.02
     6   6    -0.01  -0.02   0.01     0.02   0.09   0.08    -0.02   0.05  -0.03
     7   6    -0.03  -0.09   0.02    -0.02  -0.01  -0.01    -0.06  -0.01  -0.02
     8   6    -0.00   0.02  -0.00     0.02  -0.03  -0.02    -0.02   0.09   0.01
     9   1     0.36   0.16  -0.19     0.42   0.08  -0.17     0.14  -0.27   0.16
    10   1    -0.07   0.18   0.26    -0.14   0.05   0.42    -0.16   0.04   0.22
    11   6     0.06   0.08  -0.07    -0.01  -0.06   0.03    -0.02  -0.01   0.04
    12   6    -0.03   0.02  -0.01    -0.03  -0.01  -0.07    -0.02   0.02  -0.02
    13   6    -0.01   0.03   0.01    -0.01   0.07   0.10     0.07  -0.02  -0.13
    14   1     0.05   0.07  -0.02    -0.05   0.10  -0.00     0.10   0.01   0.11
    15   1     0.13  -0.25   0.21     0.30  -0.16  -0.01     0.22  -0.20   0.12
    16   1    -0.06   0.22   0.16    -0.11   0.25   0.16     0.09   0.28  -0.03
    17   1    -0.10   0.01  -0.02    -0.01   0.03   0.04    -0.30   0.05  -0.08
    18   1     0.06  -0.09   0.02    -0.04   0.04   0.04     0.22  -0.27  -0.00
    19   1    -0.05  -0.00  -0.00     0.15  -0.09   0.04    -0.30   0.06  -0.03
    20   1     0.16  -0.02  -0.16    -0.09   0.03   0.10    -0.07  -0.07   0.06
    21   1     0.24   0.07  -0.22    -0.17  -0.06   0.18    -0.01   0.01  -0.03
    22   1    -0.05  -0.16   0.11     0.08   0.14  -0.10    -0.05  -0.05   0.04
    23   1    -0.05  -0.02  -0.04    -0.09   0.07  -0.07    -0.02  -0.02  -0.04
    24   1    -0.09  -0.02  -0.08     0.06   0.01   0.11    -0.05   0.01  -0.09
    25   1     0.03  -0.04   0.07    -0.14   0.06  -0.11     0.01  -0.02   0.03
    26   1    -0.04  -0.10  -0.11    -0.12   0.01   0.01     0.00  -0.16  -0.27
    27   1    -0.13   0.04   0.20     0.08  -0.07   0.19     0.05  -0.10   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    847.1710               895.6939               899.6128
 Red. masses --      2.5453                 2.4307                 2.3177
 Frc consts  --      1.0763                 1.1490                 1.1051
 IR Inten    --      0.5954                 0.2383                 1.0447
 RamAct Fr= 1--      1.0948                 4.6975                 2.8722
  Dep-P Fr= 1--      0.6329                 0.1182                 0.6166
  Dep-U Fr= 1--      0.7752                 0.2115                 0.7629
 Alpha2 Fr= 1--      0.0023                 0.0786                 0.0070
 Beta2  Fr= 1--      0.1414                 0.1656                 0.3652
 AlphaG Fr= 1--     -0.0161                -0.0451                 0.0293
 Gamma2 Fr= 1--      0.4257                -0.2006                 0.0791
 Delta2 Fr= 1--      0.3520                -0.1642                -0.2178
 Raman1 Fr= 1--       4.379                 18.790                 11.489
 ROA1   Fr= 1--      52.131                -24.509                  0.625
 CID1   Fr= 1--      11.904                 -1.304                  0.054
 Raman2 Fr= 1--       1.697                  1.987                  4.382
 ROA2   Fr= 1--       7.400                 -3.500                  3.641
 CID2   Fr= 1--       4.360                 -1.762                  0.831
 Raman3 Fr= 1--       3.395                  3.974                  8.764
 ROA3   Fr= 1--      52.131                -24.509                  0.625
 CID3   Fr= 1--      15.356                 -6.168                  0.071
 RC180  Fr= 1--       0.550                 -0.577                  0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.11    -0.01   0.02   0.09     0.02   0.07  -0.10
     2   6     0.05  -0.08   0.04     0.12  -0.06  -0.12    -0.04  -0.04   0.09
     3   6     0.07  -0.07   0.14    -0.04   0.01  -0.03    -0.08  -0.01   0.01
     4   8    -0.02   0.03  -0.02     0.00  -0.01   0.00     0.01  -0.01  -0.01
     5   6     0.03  -0.06  -0.01    -0.06  -0.03  -0.01    -0.08  -0.03   0.01
     6   6    -0.06   0.10   0.14    -0.10  -0.00   0.15    -0.13   0.05   0.00
     7   6     0.06   0.01   0.09    -0.05   0.16  -0.07     0.03   0.03  -0.07
     8   6    -0.00   0.02  -0.03     0.01  -0.00   0.06     0.05  -0.01  -0.06
     9   1    -0.19   0.05   0.03     0.30  -0.24  -0.08    -0.07  -0.05   0.10
    10   1     0.14  -0.25  -0.10     0.11  -0.04  -0.01    -0.02  -0.06   0.01
    11   6     0.01  -0.01  -0.01     0.02   0.01  -0.07     0.03   0.04  -0.08
    12   6    -0.02  -0.01  -0.07     0.02  -0.03   0.05     0.01  -0.04   0.06
    13   6    -0.10   0.05  -0.13     0.00  -0.05  -0.04     0.10  -0.03   0.14
    14   1    -0.03   0.02   0.24    -0.04  -0.20   0.40    -0.29   0.08  -0.18
    15   1    -0.11   0.27  -0.31     0.12   0.09  -0.10     0.07   0.02  -0.08
    16   1     0.03  -0.47  -0.06    -0.07   0.26  -0.02     0.23   0.05  -0.22
    17   1    -0.16   0.07   0.00     0.21  -0.17  -0.09    -0.26   0.18   0.10
    18   1     0.03  -0.06   0.03     0.09  -0.04  -0.11     0.02  -0.06   0.15
    19   1     0.03  -0.07   0.02    -0.23   0.19  -0.09     0.30  -0.27   0.12
    20   1     0.02   0.04  -0.01     0.13   0.16  -0.10     0.16   0.12  -0.15
    21   1    -0.05  -0.02   0.08    -0.06  -0.03   0.12     0.04   0.00   0.01
    22   1     0.06   0.06  -0.02     0.09   0.10  -0.03     0.04   0.01   0.02
    23   1    -0.13   0.12  -0.07     0.12  -0.02   0.12     0.15   0.00   0.17
    24   1     0.08   0.01   0.18     0.04   0.02   0.02     0.07   0.03   0.03
    25   1    -0.18   0.10  -0.14    -0.01   0.01  -0.03    -0.03   0.04  -0.08
    26   1    -0.03  -0.06  -0.21     0.21  -0.12  -0.03     0.30  -0.21   0.04
    27   1    -0.10   0.01  -0.05    -0.04   0.01  -0.08     0.09  -0.03   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --    939.9711               954.0769               965.2187
 Red. masses --      2.4617                 1.9587                 1.6054
 Frc consts  --      1.2815                 1.0505                 0.8812
 IR Inten    --     11.8573                 7.0058                 0.2782
 RamAct Fr= 1--     10.3888                 3.1000                 4.0094
  Dep-P Fr= 1--      0.2870                 0.7197                 0.5283
  Dep-U Fr= 1--      0.4459                 0.8370                 0.6913
 Alpha2 Fr= 1--      0.1108                 0.0016                 0.0172
 Beta2  Fr= 1--      0.7721                 0.4325                 0.4620
 AlphaG Fr= 1--      0.0544                -0.0102                 0.0308
 Gamma2 Fr= 1--      0.2850                -0.7794                 0.6184
 Delta2 Fr= 1--      0.0041                -1.1962                 0.2116
 Raman1 Fr= 1--      41.555                 12.400                 16.038
 ROA1   Fr= 1--      27.495               -113.105                 66.141
 CID1   Fr= 1--       0.662                 -9.121                  4.124
 Raman2 Fr= 1--       9.266                  5.190                  5.544
 ROA2   Fr= 1--       6.808                 -9.137                 13.150
 CID2   Fr= 1--       0.735                 -1.761                  2.372
 Raman3 Fr= 1--      18.531                 10.379                 11.087
 ROA3   Fr= 1--      27.495               -113.105                 66.141
 CID3   Fr= 1--       1.484                -10.897                  5.965
 RC180  Fr= 1--      -0.108                  0.674                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.02    -0.02  -0.03   0.05    -0.00   0.01   0.02
     2   6     0.02   0.01  -0.06    -0.01   0.11  -0.03    -0.08   0.04  -0.00
     3   6     0.17  -0.03   0.04     0.06  -0.01  -0.00    -0.01   0.00  -0.00
     4   8    -0.02   0.00  -0.01    -0.01  -0.01  -0.00     0.00   0.01   0.00
     5   6     0.10   0.10   0.01    -0.01  -0.03   0.02    -0.03   0.02  -0.09
     6   6    -0.15  -0.05   0.01    -0.10   0.14   0.02     0.02  -0.00   0.02
     7   6     0.02   0.07  -0.06     0.03  -0.13   0.01     0.08  -0.04  -0.02
     8   6    -0.04   0.02  -0.02    -0.02  -0.01   0.06     0.03   0.01   0.02
     9   1     0.06   0.03  -0.07    -0.12   0.16  -0.03     0.03   0.13  -0.04
    10   1     0.07  -0.12   0.04    -0.05   0.21  -0.11    -0.11   0.07   0.13
    11   6    -0.04  -0.02   0.10     0.02   0.00  -0.02    -0.10  -0.03  -0.03
    12   6     0.00   0.07  -0.06    -0.02  -0.03  -0.01     0.11   0.00   0.04
    13   6    -0.01  -0.10   0.09     0.05  -0.06  -0.03    -0.03  -0.02  -0.02
    14   1    -0.32  -0.10  -0.10    -0.09   0.39  -0.19     0.07   0.06   0.01
    15   1     0.00   0.07  -0.05     0.03  -0.14   0.04     0.14  -0.01  -0.13
    16   1     0.08   0.04  -0.12     0.14  -0.05  -0.05     0.03  -0.08   0.01
    17   1    -0.09   0.07   0.02     0.22  -0.17  -0.08    -0.04  -0.03  -0.04
    18   1    -0.08   0.05   0.03     0.03   0.01  -0.12     0.13  -0.12  -0.01
    19   1     0.02  -0.03   0.02    -0.23   0.20  -0.08    -0.10   0.01  -0.01
    20   1    -0.13  -0.16   0.12    -0.03   0.02   0.02     0.34   0.23  -0.24
    21   1     0.05   0.03  -0.11    -0.05   0.01   0.01    -0.06  -0.19   0.33
    22   1    -0.12  -0.12   0.09     0.06   0.08  -0.08    -0.03  -0.09   0.32
    23   1    -0.26  -0.02  -0.28     0.08   0.06   0.10    -0.23   0.00  -0.18
    24   1    -0.12  -0.07  -0.04     0.08   0.06   0.04     0.08  -0.12   0.28
    25   1     0.10  -0.09   0.24    -0.13   0.09  -0.19     0.06  -0.07   0.30
    26   1     0.39  -0.04   0.27     0.16  -0.06   0.01     0.10  -0.00   0.04
    27   1     0.02   0.05  -0.28     0.35  -0.27  -0.20    -0.07   0.06  -0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    969.3696              1008.7267              1018.8189
 Red. masses --      1.8796                 1.5249                 1.4529
 Frc consts  --      1.0406                 0.9142                 0.8885
 IR Inten    --      4.7787                 9.9982                 3.7344
 RamAct Fr= 1--      2.4253                 2.4291                 1.4420
  Dep-P Fr= 1--      0.2511                 0.7489                 0.7315
  Dep-U Fr= 1--      0.4014                 0.8564                 0.8449
 Alpha2 Fr= 1--      0.0287                 0.0000                 0.0005
 Beta2  Fr= 1--      0.1623                 0.3467                 0.2031
 AlphaG Fr= 1--     -0.0195                 0.0057                -0.0041
 Gamma2 Fr= 1--      0.5576                -0.2459                -0.9692
 Delta2 Fr= 1--      0.0313                -0.1516                -0.4482
 Raman1 Fr= 1--       9.701                  9.717                  5.768
 ROA1   Fr= 1--      54.525                -28.459               -107.387
 CID1   Fr= 1--       5.620                 -2.929                -18.617
 Raman2 Fr= 1--       1.947                  4.161                  2.437
 ROA2   Fr= 1--      13.131                 -4.689                -19.675
 CID2   Fr= 1--       6.744                 -1.127                 -8.074
 Raman3 Fr= 1--       3.894                  8.322                  4.874
 ROA3   Fr= 1--      54.525                -28.459               -107.387
 CID3   Fr= 1--      14.001                 -3.420                -22.034
 RC180  Fr= 1--      -0.197                  0.713                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.03  -0.02  -0.01    -0.01   0.02   0.00
     2   6     0.12  -0.06  -0.01     0.06  -0.01   0.01    -0.02  -0.06  -0.06
     3   6    -0.05  -0.01   0.01     0.09  -0.00  -0.01    -0.05   0.03  -0.04
     4   8     0.01  -0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
     5   6     0.03   0.03  -0.05    -0.04  -0.02   0.01     0.00   0.01  -0.03
     6   6    -0.05   0.07  -0.05     0.04   0.04  -0.02     0.01   0.01  -0.06
     7   6    -0.12   0.00   0.08    -0.07   0.01   0.01     0.02   0.03   0.09
     8   6    -0.03  -0.03   0.00    -0.03   0.02  -0.04     0.04   0.02   0.04
     9   1    -0.05  -0.12   0.03     0.03  -0.25   0.08     0.14   0.10  -0.13
    10   1     0.13  -0.03  -0.19     0.03   0.09  -0.14    -0.01  -0.13   0.20
    11   6    -0.05  -0.02   0.02    -0.04   0.06  -0.02    -0.01   0.05   0.05
    12   6     0.07   0.02  -0.01     0.01  -0.07  -0.00     0.01  -0.06   0.00
    13   6     0.10   0.05   0.00    -0.05  -0.06   0.04     0.01  -0.02   0.02
    14   1    -0.22   0.05  -0.20     0.21   0.13   0.07    -0.20  -0.00  -0.25
    15   1    -0.22  -0.01   0.22    -0.01  -0.06   0.09    -0.06   0.18  -0.15
    16   1    -0.07   0.04   0.05    -0.14   0.15   0.11    -0.22  -0.22   0.19
    17   1     0.18  -0.04   0.02    -0.15   0.13   0.05    -0.02  -0.08  -0.08
    18   1    -0.14   0.16  -0.04    -0.08   0.05   0.06     0.21  -0.18  -0.04
    19   1     0.06   0.07  -0.02     0.10  -0.10   0.04    -0.19   0.07  -0.03
    20   1     0.11   0.05  -0.06     0.19   0.02  -0.18    -0.06  -0.19   0.03
    21   1    -0.01  -0.08   0.12     0.16  -0.01  -0.04     0.19   0.10  -0.27
    22   1    -0.05  -0.08   0.16    -0.13  -0.20   0.25    -0.17  -0.19   0.08
    23   1    -0.25   0.02  -0.21     0.02   0.12   0.09     0.05   0.09   0.10
    24   1     0.04  -0.10   0.21     0.17   0.04   0.22     0.15   0.04   0.17
    25   1     0.04  -0.06   0.24    -0.21   0.11  -0.19    -0.14   0.09  -0.18
    26   1    -0.12  -0.14  -0.23    -0.09   0.26   0.29     0.21  -0.13  -0.02
    27   1     0.22  -0.21   0.30     0.08  -0.02  -0.26    -0.03   0.04  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1033.2111              1042.2857              1092.8148
 Red. masses --      1.8459                 1.5506                 1.3313
 Frc consts  --      1.1610                 0.9925                 0.9368
 IR Inten    --     24.7410                10.7653                 1.1453
 RamAct Fr= 1--      1.4826                 1.1565                 2.9676
  Dep-P Fr= 1--      0.7497                 0.5764                 0.7458
  Dep-U Fr= 1--      0.8569                 0.7313                 0.8544
 Alpha2 Fr= 1--      0.0000                 0.0038                 0.0002
 Beta2  Fr= 1--      0.2117                 0.1410                 0.4226
 AlphaG Fr= 1--      0.0011                 0.0056                 0.0016
 Gamma2 Fr= 1--     -0.0233                 0.3307                 2.7704
 Delta2 Fr= 1--     -0.0275                 0.3570                 0.5155
 Raman1 Fr= 1--       5.930                  4.626                 11.870
 ROA1   Fr= 1--      -3.116                 43.174                282.456
 CID1   Fr= 1--      -0.525                  9.333                 23.795
 Raman2 Fr= 1--       2.541                  1.691                  5.071
 ROA2   Fr= 1--      -0.339                  5.082                 62.366
 CID2   Fr= 1--      -0.133                  3.005                 12.299
 Raman3 Fr= 1--       5.082                  3.383                 10.142
 ROA3   Fr= 1--      -3.116                 43.174                282.456
 CID3   Fr= 1--      -0.613                 12.763                 27.851
 RC180  Fr= 1--       0.714                  0.463                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.00     0.02  -0.01   0.01    -0.05  -0.04  -0.02
     2   6    -0.01  -0.05  -0.05    -0.05   0.01   0.01     0.01   0.01  -0.02
     3   6     0.17  -0.01   0.01     0.10   0.01  -0.05     0.00   0.03  -0.03
     4   8    -0.03   0.02   0.01    -0.02  -0.01   0.00     0.00   0.01   0.01
     5   6    -0.07  -0.02  -0.03    -0.02  -0.01   0.01     0.00  -0.04   0.05
     6   6     0.01  -0.00  -0.07    -0.03  -0.05   0.03    -0.01  -0.05   0.04
     7   6    -0.00   0.04   0.07     0.04  -0.00  -0.03    -0.01  -0.01  -0.03
     8   6    -0.03   0.03  -0.00    -0.07  -0.06   0.01     0.06   0.06   0.02
     9   1     0.05   0.17  -0.13    -0.05   0.16  -0.03    -0.09   0.17  -0.06
    10   1     0.07  -0.26   0.17    -0.05  -0.00   0.07     0.12  -0.25   0.03
    11   6    -0.03  -0.02  -0.06    -0.03   0.07   0.01    -0.01   0.04  -0.01
    12   6    -0.05   0.03   0.10    -0.00  -0.04  -0.01    -0.00   0.01  -0.03
    13   6     0.02   0.02   0.03     0.05   0.08  -0.01     0.01   0.05   0.02
    14   1    -0.02   0.08  -0.17     0.02  -0.17   0.19    -0.09  -0.20   0.10
    15   1    -0.18   0.15  -0.00     0.08   0.00  -0.08    -0.12  -0.04   0.15
    16   1    -0.11  -0.16   0.09     0.17  -0.04  -0.15     0.22   0.04  -0.21
    17   1    -0.07   0.03  -0.01     0.30  -0.08   0.04    -0.19  -0.01  -0.09
    18   1    -0.02   0.01   0.00    -0.27   0.29  -0.07     0.27  -0.26   0.01
    19   1    -0.06   0.02  -0.01     0.09   0.12  -0.04    -0.19  -0.03   0.00
    20   1     0.17   0.20  -0.14     0.12  -0.07  -0.12     0.08  -0.02  -0.08
    21   1    -0.12  -0.12   0.25     0.21   0.04  -0.15     0.11   0.02  -0.05
    22   1     0.07   0.06   0.07    -0.17  -0.23   0.23    -0.06  -0.09   0.10
    23   1     0.30  -0.17   0.21     0.02   0.06   0.06    -0.07   0.02  -0.06
    24   1    -0.19   0.06  -0.40     0.08   0.03   0.09    -0.01  -0.02   0.03
    25   1     0.20  -0.06  -0.00    -0.11   0.06  -0.12    -0.02  -0.01   0.02
    26   1    -0.06  -0.01  -0.03    -0.04  -0.15  -0.23    -0.35   0.18   0.02
    27   1     0.10  -0.08   0.09    -0.14   0.09   0.33     0.36  -0.30   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7422              1135.1649              1178.2441
 Red. masses --      1.2131                 2.0022                 2.0162
 Frc consts  --      0.9074                 1.5201                 1.6491
 IR Inten    --      4.5107                 2.0199                 1.7198
 RamAct Fr= 1--      5.2932                 5.2195                 2.9878
  Dep-P Fr= 1--      0.6031                 0.6904                 0.7492
  Dep-U Fr= 1--      0.7525                 0.8168                 0.8566
 Alpha2 Fr= 1--      0.0144                 0.0055                 0.0000
 Beta2  Fr= 1--      0.6638                 0.7106                 0.4266
 AlphaG Fr= 1--     -0.0307                -0.0519                -0.0014
 Gamma2 Fr= 1--     -2.2918                 1.0692                -0.9752
 Delta2 Fr= 1--     -0.4187                 1.0250                -0.9124
 Raman1 Fr= 1--      21.173                 20.878                 11.951
 ROA1   Fr= 1--    -233.416                135.444               -122.816
 CID1   Fr= 1--     -11.024                  6.487                -10.276
 Raman2 Fr= 1--       7.966                  8.527                  5.119
 ROA2   Fr= 1--     -51.655                 17.461                -16.106
 CID2   Fr= 1--      -6.485                  2.048                 -3.146
 Raman3 Fr= 1--      15.931                 17.054                 10.238
 ROA3   Fr= 1--    -233.416                135.444               -122.816
 CID3   Fr= 1--     -14.651                  7.942                -11.997
 RC180  Fr= 1--       0.505                  0.634                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.04   0.07  -0.11    -0.10   0.03   0.19
     2   6    -0.00  -0.01  -0.03    -0.01  -0.02   0.08    -0.02   0.08  -0.04
     3   6     0.01   0.01  -0.02     0.04   0.00  -0.01     0.04   0.02  -0.04
     4   8     0.00  -0.01  -0.00    -0.01   0.01   0.00    -0.01  -0.01   0.00
     5   6    -0.03   0.06   0.03     0.01  -0.08   0.13    -0.02  -0.06   0.03
     6   6    -0.02   0.01  -0.02     0.09  -0.04   0.02    -0.04  -0.03   0.03
     7   6    -0.03   0.00  -0.01    -0.02   0.04  -0.06     0.06  -0.01  -0.01
     8   6     0.00   0.02  -0.00     0.01  -0.05   0.07     0.04  -0.02  -0.10
     9   1    -0.08   0.25  -0.10    -0.08  -0.06   0.09     0.13  -0.30   0.07
    10   1     0.13  -0.32   0.10     0.09  -0.23   0.01     0.14  -0.27   0.08
    11   6     0.02  -0.03  -0.00     0.00   0.03  -0.05     0.01   0.03  -0.00
    12   6     0.03  -0.04  -0.03    -0.01   0.04  -0.05     0.02   0.02  -0.02
    13   6     0.03  -0.02   0.03    -0.08   0.02   0.03     0.00   0.04  -0.09
    14   1     0.40   0.28   0.14     0.06   0.34  -0.37     0.04   0.22  -0.13
    15   1    -0.28   0.00   0.25    -0.08  -0.03   0.17    -0.11   0.03   0.06
    16   1     0.12   0.04  -0.13    -0.16   0.15   0.10    -0.26  -0.03   0.24
    17   1    -0.08   0.03  -0.01     0.28  -0.21  -0.07    -0.15   0.20   0.12
    18   1     0.04  -0.05   0.03     0.05   0.02  -0.16    -0.05  -0.04   0.22
    19   1    -0.05  -0.02   0.01    -0.11   0.17  -0.07     0.30  -0.29   0.10
    20   1    -0.06   0.04   0.07     0.12   0.08  -0.11    -0.00  -0.04  -0.01
    21   1    -0.11  -0.01   0.05     0.05  -0.02   0.02     0.06   0.04  -0.08
    22   1     0.09   0.11  -0.10     0.02  -0.00   0.06    -0.03  -0.03  -0.01
    23   1    -0.08   0.10  -0.03    -0.13  -0.01  -0.15    -0.08  -0.01  -0.09
    24   1     0.13  -0.00   0.19    -0.09  -0.05  -0.03    -0.03  -0.05   0.03
    25   1    -0.13   0.05  -0.04     0.00  -0.02   0.07     0.01  -0.01   0.07
    26   1     0.10  -0.08  -0.00     0.34  -0.22  -0.05     0.10  -0.19  -0.25
    27   1    -0.29   0.23   0.15    -0.01   0.02  -0.11     0.10  -0.11   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1193.6032              1221.8600              1239.7966
 Red. masses --      2.4492                 2.0342                 1.9144
 Frc consts  --      2.0559                 1.7894                 1.7337
 IR Inten    --      2.0483                 0.2558                 2.0314
 RamAct Fr= 1--      2.8380                 1.3281                 2.8176
  Dep-P Fr= 1--      0.7078                 0.7331                 0.7486
  Dep-U Fr= 1--      0.8289                 0.8460                 0.8562
 Alpha2 Fr= 1--      0.0021                 0.0004                 0.0001
 Beta2  Fr= 1--      0.3921                 0.1873                 0.4021
 AlphaG Fr= 1--     -0.0038                 0.0021                -0.0008
 Gamma2 Fr= 1--     -1.5378                 0.1914                 2.1481
 Delta2 Fr= 1--     -1.3269                -0.0922                 1.3355
 Raman1 Fr= 1--      11.352                  5.312                 11.270
 ROA1   Fr= 1--    -190.092                 15.429                248.952
 CID1   Fr= 1--     -16.745                  2.904                 22.089
 Raman2 Fr= 1--       4.705                  2.247                  4.825
 ROA2   Fr= 1--     -26.292                  5.332                 40.869
 CID2   Fr= 1--      -5.588                  2.373                  8.471
 Raman3 Fr= 1--       9.410                  4.494                  9.650
 ROA3   Fr= 1--    -190.092                 15.429                248.952
 CID3   Fr= 1--     -20.202                  3.433                 25.799
 RC180  Fr= 1--       0.658                  0.692                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.03    -0.06   0.19  -0.03    -0.03   0.08  -0.01
     2   6    -0.05  -0.06  -0.06    -0.03  -0.02  -0.03    -0.06   0.00  -0.03
     3   6    -0.02   0.02  -0.05     0.04  -0.02   0.03     0.00  -0.01   0.01
     4   8     0.00  -0.01   0.00    -0.01  -0.00  -0.01     0.00  -0.02  -0.01
     5   6    -0.08  -0.11   0.20    -0.07  -0.04  -0.14     0.07   0.18   0.08
     6   6    -0.06   0.01  -0.09     0.00   0.01  -0.03     0.01  -0.08   0.01
     7   6     0.05   0.06   0.10    -0.01  -0.01   0.04     0.06   0.02   0.02
     8   6    -0.03  -0.01  -0.00     0.02  -0.07   0.02     0.00  -0.04   0.00
     9   1     0.22  -0.05  -0.10     0.12  -0.11  -0.02     0.25  -0.38   0.05
    10   1    -0.23   0.32   0.10     0.01  -0.14   0.12    -0.09   0.06   0.09
    11   6     0.05   0.02  -0.06     0.03   0.01   0.05    -0.03  -0.06  -0.04
    12   6     0.04   0.06  -0.08     0.03   0.02   0.04    -0.03  -0.08  -0.02
    13   6     0.04  -0.05   0.00    -0.03  -0.01   0.05    -0.01   0.01  -0.01
    14   1     0.10   0.02   0.06     0.40   0.04   0.32    -0.16  -0.14  -0.10
    15   1    -0.06   0.22  -0.14    -0.17   0.02   0.13    -0.32   0.11   0.20
    16   1     0.12  -0.26  -0.07     0.26  -0.08  -0.21     0.12  -0.15  -0.09
    17   1     0.03   0.02   0.04     0.25  -0.09   0.03     0.12  -0.04   0.02
    18   1    -0.09   0.09  -0.01    -0.02   0.03  -0.07    -0.02   0.03  -0.03
    19   1     0.02   0.05  -0.02     0.15   0.04  -0.01     0.09   0.01  -0.00
    20   1     0.04   0.06  -0.04    -0.14  -0.17   0.11     0.04   0.20  -0.02
    21   1     0.01   0.03  -0.02     0.02   0.09  -0.14    -0.13  -0.12   0.21
    22   1     0.08   0.08  -0.09    -0.07  -0.05  -0.11     0.12   0.11   0.08
    23   1    -0.28   0.01  -0.30     0.01  -0.07  -0.02     0.06   0.16   0.15
    24   1    -0.07  -0.14   0.12    -0.03  -0.04   0.01     0.16   0.12   0.05
    25   1    -0.01  -0.04   0.23     0.10  -0.04   0.12    -0.18   0.08  -0.23
    26   1    -0.25   0.25   0.18     0.02   0.04   0.10    -0.13   0.07  -0.00
    27   1     0.01  -0.01  -0.02     0.30  -0.20  -0.18     0.17  -0.13  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.7210              1267.9215              1277.1305
 Red. masses --      2.2572                 1.5165                 1.4907
 Frc consts  --      2.0737                 1.4365                 1.4326
 IR Inten    --      3.3796                 0.8630                 1.0654
 RamAct Fr= 1--      2.8453                 4.5838                 3.9985
  Dep-P Fr= 1--      0.7486                 0.7344                 0.7312
  Dep-U Fr= 1--      0.8562                 0.8469                 0.8447
 Alpha2 Fr= 1--      0.0001                 0.0012                 0.0013
 Beta2  Fr= 1--      0.4060                 0.6470                 0.5630
 AlphaG Fr= 1--      0.0001                 0.0028                -0.0072
 Gamma2 Fr= 1--     -0.2956                 1.6822                -0.0203
 Delta2 Fr= 1--     -0.3298                 0.6154                 0.5411
 Raman1 Fr= 1--      11.381                 18.335                 15.994
 ROA1   Fr= 1--     -38.933                181.185                 15.366
 CID1   Fr= 1--      -3.421                  9.882                  0.961
 Raman2 Fr= 1--       4.872                  7.764                  6.755
 ROA2   Fr= 1--      -4.456                 35.450                 -4.816
 CID2   Fr= 1--      -0.914                  4.566                 -0.713
 Raman3 Fr= 1--       9.745                 15.527                 13.511
 ROA3   Fr= 1--     -38.933                181.185                 15.366
 CID3   Fr= 1--      -3.995                 11.669                  1.137
 RC180  Fr= 1--       0.712                  0.694                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09     0.04  -0.10   0.02    -0.03   0.06   0.06
     2   6     0.00  -0.04  -0.05     0.00  -0.07  -0.00     0.05  -0.05   0.02
     3   6    -0.07   0.02  -0.02    -0.00   0.00   0.00     0.02  -0.00  -0.01
     4   8     0.01  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.01
     5   6     0.21  -0.10   0.03    -0.04  -0.00  -0.04    -0.02   0.05   0.08
     6   6     0.04   0.11  -0.01     0.03  -0.05   0.04     0.02   0.01  -0.10
     7   6    -0.04  -0.02   0.03     0.03   0.05  -0.02    -0.02  -0.02  -0.01
     8   6     0.01  -0.01  -0.04    -0.01   0.03  -0.02     0.01  -0.02  -0.03
     9   1     0.02   0.15  -0.11     0.05   0.06  -0.05    -0.24   0.47  -0.11
    10   1    -0.06   0.07   0.06    -0.27   0.55  -0.11     0.01   0.03  -0.03
    11   6    -0.08   0.03  -0.02     0.01   0.01   0.02     0.01  -0.03  -0.03
    12   6    -0.08   0.03   0.01     0.01  -0.00   0.01     0.01  -0.02  -0.02
    13   6    -0.03  -0.06  -0.02    -0.08   0.08   0.01    -0.06   0.03   0.03
    14   1    -0.00  -0.06   0.10     0.10   0.15  -0.08     0.01  -0.39   0.26
    15   1    -0.23  -0.02   0.22    -0.31   0.10   0.23     0.23  -0.08  -0.15
    16   1     0.37  -0.03  -0.31     0.15  -0.02  -0.15    -0.15   0.03   0.12
    17   1    -0.00   0.07   0.06    -0.14   0.06  -0.01     0.03   0.05   0.05
    18   1    -0.03  -0.01   0.08    -0.02   0.01   0.04    -0.02  -0.01   0.06
    19   1     0.12  -0.08   0.03    -0.04  -0.05   0.01     0.11  -0.05   0.01
    20   1     0.20   0.02  -0.19    -0.03  -0.04   0.03     0.00   0.10   0.01
    21   1     0.16  -0.10   0.07     0.00   0.04  -0.07    -0.08  -0.03   0.06
    22   1    -0.08  -0.10   0.23    -0.02  -0.01  -0.05     0.07   0.07  -0.01
    23   1     0.09  -0.10   0.04     0.01  -0.00   0.01    -0.05   0.07  -0.01
    24   1    -0.12   0.07  -0.25     0.01  -0.01   0.04     0.04   0.00   0.05
    25   1     0.12  -0.03  -0.11     0.01  -0.01   0.03    -0.08   0.03  -0.03
    26   1     0.23  -0.09   0.03     0.30  -0.27  -0.16     0.26  -0.20  -0.07
    27   1    -0.21   0.15  -0.10     0.21  -0.18  -0.04     0.27  -0.20  -0.15
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1294.5379              1322.4258              1346.6182
 Red. masses --      1.8556                 1.6719                 1.5730
 Frc consts  --      1.8322                 1.7227                 1.6806
 IR Inten    --      3.2010                 5.2231                 2.3917
 RamAct Fr= 1--      4.0714                 1.1527                 2.2540
  Dep-P Fr= 1--      0.7227                 0.7495                 0.7426
  Dep-U Fr= 1--      0.8391                 0.8568                 0.8523
 Alpha2 Fr= 1--      0.0019                 0.0000                 0.0003
 Beta2  Fr= 1--      0.5694                 0.1646                 0.3202
 AlphaG Fr= 1--     -0.0134                 0.0004                 0.0024
 Gamma2 Fr= 1--      3.1733                -0.8481                -0.1263
 Delta2 Fr= 1--      1.5674                -0.8672                 0.0437
 Raman1 Fr= 1--      16.286                  4.611                  9.016
 ROA1   Fr= 1--     354.798               -109.173                -10.727
 CID1   Fr= 1--      21.786                -23.677                 -1.190
 Raman2 Fr= 1--       6.832                  1.975                  3.842
 ROA2   Fr= 1--      63.621                -13.417                 -3.381
 CID2   Fr= 1--       9.312                 -6.792                 -0.880
 Raman3 Fr= 1--      13.664                  3.951                  7.684
 ROA3   Fr= 1--     354.798               -109.173                -10.727
 CID3   Fr= 1--      25.965                -27.633                 -1.396
 RC180  Fr= 1--       0.678                  0.714                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.09   0.08    -0.03  -0.02   0.03    -0.04   0.03   0.02
     2   6    -0.02  -0.06  -0.00     0.01   0.05  -0.04     0.04  -0.04   0.01
     3   6    -0.04  -0.00  -0.00     0.04  -0.00  -0.00    -0.02  -0.00   0.00
     4   8     0.00  -0.01  -0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.04   0.01  -0.03    -0.09   0.02   0.02     0.09   0.03  -0.01
     6   6     0.05  -0.02   0.12     0.12  -0.00   0.02    -0.08  -0.14   0.01
     7   6    -0.01   0.01  -0.06    -0.12   0.00   0.10    -0.05   0.05   0.05
     8   6    -0.04  -0.04  -0.03     0.01   0.01  -0.02     0.01  -0.00  -0.01
     9   1    -0.12   0.49  -0.16     0.06  -0.17   0.02    -0.08   0.20  -0.05
    10   1     0.06  -0.23   0.12     0.06  -0.09   0.02    -0.03   0.13  -0.06
    11   6     0.02   0.00   0.01     0.03  -0.01  -0.01    -0.03  -0.00   0.01
    12   6     0.02  -0.01   0.00     0.03  -0.01  -0.01    -0.03  -0.01  -0.01
    13   6    -0.02  -0.05  -0.06    -0.03   0.00  -0.02     0.02   0.01  -0.01
    14   1    -0.32   0.12  -0.38    -0.25  -0.06  -0.30     0.38   0.54  -0.18
    15   1    -0.10  -0.03   0.13     0.33  -0.05  -0.26     0.38   0.04  -0.37
    16   1    -0.02   0.10  -0.02     0.52  -0.01  -0.44     0.08  -0.01  -0.09
    17   1     0.04   0.11   0.13    -0.02   0.02   0.00     0.02   0.02   0.02
    18   1    -0.17   0.14   0.03     0.00  -0.02   0.05     0.03  -0.04   0.03
    19   1     0.12   0.08  -0.04     0.01  -0.06   0.02     0.04  -0.03   0.01
    20   1    -0.06  -0.04   0.04    -0.06   0.02   0.05     0.06   0.03  -0.04
    21   1    -0.02   0.03  -0.01    -0.09   0.02   0.01     0.09  -0.04  -0.01
    22   1    -0.02  -0.02  -0.04     0.02   0.01  -0.05     0.03   0.05   0.06
    23   1    -0.00   0.02   0.01    -0.05   0.05  -0.02     0.07   0.01   0.07
    24   1     0.02  -0.02   0.04     0.01  -0.04   0.05     0.05   0.08  -0.00
    25   1    -0.03   0.00   0.02    -0.08   0.02   0.04     0.06  -0.04  -0.03
    26   1    -0.21   0.23   0.11     0.13  -0.12  -0.08    -0.17   0.06  -0.02
    27   1     0.08  -0.09  -0.16    -0.09   0.07  -0.03     0.12  -0.09  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1361.0100              1398.6106              1418.2562
 Red. masses --      2.2085                 1.2098                 1.2782
 Frc consts  --      2.4103                 1.3943                 1.5148
 IR Inten    --      2.0251                 5.0837                 4.6160
 RamAct Fr= 1--      2.4897                 0.1128                 0.6561
  Dep-P Fr= 1--      0.7081                 0.5588                 0.0819
  Dep-U Fr= 1--      0.8291                 0.7170                 0.1515
 Alpha2 Fr= 1--      0.0018                 0.0004                 0.0120
 Beta2  Fr= 1--      0.3440                 0.0135                 0.0166
 AlphaG Fr= 1--     -0.0075                -0.0062                -0.0039
 Gamma2 Fr= 1--      0.4751                 0.0055                -0.0526
 Delta2 Fr= 1--     -0.0140                -0.0116                -0.0334
 Raman1 Fr= 1--       9.959                  0.451                  2.624
 ROA1   Fr= 1--      45.159                  0.155                 -6.123
 CID1   Fr= 1--       4.535                  0.344                 -2.333
 Raman2 Fr= 1--       4.128                  0.162                  0.199
 ROA2   Fr= 1--      11.514                  0.224                 -0.996
 CID2   Fr= 1--       2.789                  1.383                 -5.009
 Raman3 Fr= 1--       8.257                  0.324                  0.398
 ROA3   Fr= 1--      45.159                  0.155                 -6.123
 CID3   Fr= 1--       5.469                  0.480                -15.403
 RC180  Fr= 1--       0.658                  0.434                 -0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22  -0.07  -0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
     2   6    -0.07   0.10  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.11   0.02  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.01
     4   8     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
     5   6     0.05  -0.01   0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6    -0.04  -0.01  -0.04    -0.01   0.00  -0.01    -0.00   0.00   0.01
     7   6    -0.03  -0.01   0.03     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.05   0.01   0.00    -0.00   0.00   0.00    -0.13   0.08  -0.01
     9   1     0.17  -0.25   0.06     0.02  -0.01   0.00    -0.02   0.01  -0.00
    10   1     0.21  -0.52   0.10     0.01  -0.03  -0.01    -0.01  -0.00   0.02
    11   6    -0.03  -0.01   0.01     0.06   0.04  -0.07     0.00   0.00  -0.00
    12   6    -0.02   0.00  -0.01    -0.06   0.02  -0.07     0.00   0.00   0.00
    13   6    -0.09   0.06   0.03    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   1     0.22   0.03   0.16     0.02  -0.00   0.02    -0.01   0.01  -0.01
    15   1     0.15  -0.03  -0.13    -0.01   0.02  -0.04    -0.01   0.00   0.01
    16   1     0.05  -0.03  -0.04    -0.00   0.02   0.02    -0.01   0.00   0.00
    17   1    -0.05   0.05   0.04    -0.01   0.00   0.00     0.50  -0.14  -0.12
    18   1    -0.10   0.11  -0.04    -0.00   0.01  -0.00     0.31  -0.48  -0.09
    19   1    -0.03   0.11  -0.04    -0.01   0.01  -0.00     0.50  -0.20   0.25
    20   1     0.11   0.05  -0.07    -0.32  -0.17   0.14    -0.01  -0.01   0.00
    21   1     0.10  -0.01  -0.09    -0.23  -0.05   0.38    -0.01  -0.00   0.02
    22   1     0.04   0.09  -0.03    -0.13  -0.33   0.23    -0.01  -0.02   0.00
    23   1     0.04  -0.02   0.02     0.31  -0.01   0.17    -0.01  -0.00  -0.01
    24   1     0.03   0.04   0.02     0.16   0.08   0.35    -0.01  -0.01  -0.01
    25   1     0.06  -0.03  -0.01     0.23  -0.23   0.24    -0.01   0.01  -0.01
    26   1     0.25  -0.12  -0.01     0.01  -0.04  -0.03    -0.01   0.00  -0.00
    27   1     0.30  -0.27  -0.06     0.01   0.01  -0.04    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.2132              1483.1445              1489.0081
 Red. masses --      1.2232                 1.0503                 1.0552
 Frc consts  --      1.4578                 1.3612                 1.3784
 IR Inten    --     11.0903                 1.5530                 1.9932
 RamAct Fr= 1--      0.5999                 2.3816                 4.2035
  Dep-P Fr= 1--      0.3339                 0.7440                 0.7423
  Dep-U Fr= 1--      0.5006                 0.8532                 0.8521
 Alpha2 Fr= 1--      0.0055                 0.0002                 0.0005
 Beta2  Fr= 1--      0.0500                 0.3387                 0.5970
 AlphaG Fr= 1--      0.0008                -0.0068                -0.0053
 Gamma2 Fr= 1--     -0.0893                -1.8260                 1.5423
 Delta2 Fr= 1--     -0.0251                -0.9758                 0.4778
 Raman1 Fr= 1--       2.399                  9.526                 16.814
 ROA1   Fr= 1--      -9.380               -206.526                163.355
 CID1   Fr= 1--      -3.909                -21.680                  9.716
 Raman2 Fr= 1--       0.601                  4.064                  7.164
 ROA2   Fr= 1--      -1.944                -36.019                 33.194
 CID2   Fr= 1--      -3.237                 -8.863                  4.634
 Raman3 Fr= 1--       1.201                  8.128                 14.327
 ROA3   Fr= 1--      -9.380               -206.526                163.355
 CID3   Fr= 1--      -7.809                -25.409                 11.402
 RC180  Fr= 1--       0.001                  0.706                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.01
     2   6     0.00  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.00   0.02
     3   6     0.03   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.03  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6     0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.01
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.03
     9   1    -0.02   0.01  -0.00    -0.11  -0.04   0.02     0.21   0.08  -0.04
    10   1    -0.01   0.03   0.01    -0.02   0.03   0.11     0.03  -0.05  -0.21
    11   6    -0.05  -0.04   0.06     0.02   0.01   0.03     0.01  -0.01   0.00
    12   6    -0.06   0.02  -0.07    -0.02  -0.03   0.02    -0.01   0.01   0.02
    13   6     0.00  -0.01  -0.01    -0.01  -0.00  -0.02    -0.00  -0.00  -0.01
    14   1    -0.09  -0.07  -0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    15   1    -0.06   0.02   0.01     0.02  -0.01   0.00     0.14  -0.14   0.18
    16   1     0.01   0.04   0.01    -0.01  -0.01   0.00    -0.06  -0.25  -0.05
    17   1     0.03  -0.01  -0.01    -0.01   0.01   0.01     0.30  -0.03  -0.01
    18   1     0.01  -0.02   0.01     0.01  -0.00  -0.01    -0.11  -0.04   0.43
    19   1     0.02  -0.02   0.02     0.01   0.01  -0.00    -0.31  -0.21   0.02
    20   1     0.28   0.15  -0.12     0.27  -0.12  -0.18     0.03   0.20   0.03
    21   1     0.21   0.04  -0.33    -0.28   0.08   0.11    -0.18   0.11  -0.12
    22   1     0.13   0.31  -0.20    -0.25  -0.18  -0.37    -0.06  -0.11   0.03
    23   1     0.32  -0.01   0.18    -0.28   0.24  -0.04    -0.02  -0.26  -0.14
    24   1     0.18   0.09   0.39     0.27   0.38  -0.17     0.05   0.02   0.16
    25   1     0.25  -0.25   0.27     0.27  -0.15  -0.01     0.17   0.01  -0.25
    26   1     0.01   0.03   0.03     0.09   0.08   0.09     0.02   0.05   0.04
    27   1    -0.05   0.02   0.04    -0.01  -0.07   0.13    -0.00  -0.03   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1490.0830              1495.3768              1501.0864
 Red. masses --      1.0540                 1.0526                 1.0710
 Frc consts  --      1.3789                 1.3868                 1.4218
 IR Inten    --      3.7831                 5.8276                 7.9858
 RamAct Fr= 1--      9.4476                 4.4820                 4.6634
  Dep-P Fr= 1--      0.7498                 0.7392                 0.7226
  Dep-U Fr= 1--      0.8570                 0.8501                 0.8390
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0022
 Beta2  Fr= 1--      1.3495                 0.6350                 0.6521
 AlphaG Fr= 1--     -0.0011                 0.0024                -0.0020
 Gamma2 Fr= 1--     -2.2344                 3.2958                -1.6786
 Delta2 Fr= 1--     -0.3910                 2.7170                -1.3017
 Raman1 Fr= 1--      37.790                 17.928                 18.653
 ROA1   Fr= 1--    -227.012                403.340               -202.801
 CID1   Fr= 1--      -6.007                 22.498                -10.872
 Raman2 Fr= 1--      16.193                  7.620                  7.825
 ROA2   Fr= 1--     -50.497                 57.363                -29.873
 CID2   Fr= 1--      -3.118                  7.528                 -3.818
 Raman3 Fr= 1--      32.387                 15.240                 15.650
 ROA3   Fr= 1--    -227.012                403.340               -202.801
 CID3   Fr= 1--      -7.009                 26.466                -12.959
 RC180  Fr= 1--       0.714                  0.700                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.02    -0.01  -0.02  -0.02     0.02   0.02  -0.00
     2   6    -0.00  -0.00   0.00     0.02   0.00  -0.02     0.03  -0.00  -0.03
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00  -0.00
     4   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00  -0.00     0.01  -0.02   0.00
     8   6     0.00   0.01  -0.03    -0.02  -0.03  -0.02     0.01   0.02  -0.00
     9   1     0.01  -0.02   0.01    -0.24  -0.13   0.06    -0.39  -0.13   0.07
    10   1    -0.00  -0.01   0.00    -0.04   0.07   0.24    -0.05   0.07   0.40
    11   6    -0.02   0.02   0.00     0.01  -0.01  -0.00     0.01  -0.01   0.00
    12   6     0.01  -0.02  -0.01    -0.00   0.01   0.00     0.01   0.01  -0.01
    13   6     0.00   0.00   0.02    -0.00   0.00  -0.00    -0.02  -0.00  -0.03
    14   1     0.01  -0.01   0.01     0.01   0.01   0.00     0.03   0.02  -0.01
    15   1    -0.11   0.10  -0.12    -0.03   0.03  -0.02    -0.09   0.10  -0.13
    16   1     0.03   0.17   0.04     0.01   0.04   0.01     0.04   0.18   0.04
    17   1     0.35   0.06   0.10     0.14   0.38   0.44     0.05  -0.19  -0.21
    18   1    -0.09  -0.10   0.49     0.13  -0.31   0.16    -0.11   0.14   0.10
    19   1    -0.33  -0.11  -0.03     0.01   0.44  -0.23    -0.14  -0.29   0.11
    20   1     0.01  -0.27  -0.08    -0.04   0.16   0.06     0.03   0.19   0.03
    21   1     0.18  -0.13   0.17    -0.07   0.07  -0.11    -0.19   0.11  -0.10
    22   1     0.03   0.12  -0.11     0.00  -0.05   0.10    -0.07  -0.13   0.04
    23   1     0.00   0.26   0.13     0.01  -0.11  -0.04     0.14  -0.06   0.05
    24   1    -0.04   0.01  -0.17    -0.01  -0.03   0.06    -0.14  -0.17   0.04
    25   1    -0.15  -0.02   0.24     0.04   0.02  -0.08    -0.16   0.07   0.04
    26   1    -0.07  -0.06  -0.06     0.04   0.02   0.03     0.14   0.14   0.15
    27   1     0.01   0.05  -0.11    -0.01  -0.02   0.07     0.02  -0.13   0.20
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.1899              1509.7741              1515.6307
 Red. masses --      1.0642                 1.0733                 1.0705
 Frc consts  --      1.4149                 1.4414                 1.4489
 IR Inten    --      0.9166                10.5588                 9.8984
 RamAct Fr= 1--      9.3717                 3.6306                 2.9717
  Dep-P Fr= 1--      0.7373                 0.7091                 0.7271
  Dep-U Fr= 1--      0.8488                 0.8298                 0.8420
 Alpha2 Fr= 1--      0.0020                 0.0026                 0.0012
 Beta2  Fr= 1--      1.3257                 0.5021                 0.4170
 AlphaG Fr= 1--      0.0094                 0.0070                -0.0007
 Gamma2 Fr= 1--      1.9818                -0.8236                -1.2864
 Delta2 Fr= 1--      0.6188                -0.9043                -0.5070
 Raman1 Fr= 1--      37.487                 14.523                 11.887
 ROA1   Fr= 1--     210.050               -107.998               -139.719
 CID1   Fr= 1--       5.603                 -7.437                -11.754
 Raman2 Fr= 1--      15.909                  6.025                  5.004
 ROA2   Fr= 1--      42.612                -12.531                -26.817
 CID2   Fr= 1--       2.678                 -2.080                 -5.359
 Raman3 Fr= 1--      31.818                 12.050                 10.008
 ROA3   Fr= 1--     210.050               -107.998               -139.719
 CID3   Fr= 1--       6.602                 -8.962                -13.960
 RC180  Fr= 1--       0.698                  0.660                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.00  -0.00
     2   6     0.01   0.00  -0.02    -0.02  -0.00   0.02    -0.01  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01   0.00
     5   6    -0.03  -0.02  -0.01     0.02  -0.02  -0.00     0.01  -0.02  -0.01
     6   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.04   0.01    -0.00   0.01  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.18  -0.07   0.04     0.22   0.08  -0.04     0.19   0.07  -0.04
    10   1    -0.02   0.03   0.20     0.03  -0.05  -0.22     0.02  -0.03  -0.20
    11   6    -0.00  -0.01  -0.03     0.02  -0.03   0.01     0.00  -0.01  -0.02
    12   6    -0.01  -0.02   0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.01
    13   6     0.01  -0.00   0.02     0.01   0.00   0.03    -0.02  -0.00  -0.05
    14   1    -0.01  -0.00   0.00     0.01   0.00   0.01     0.01   0.01   0.00
    15   1    -0.06   0.04  -0.04    -0.19   0.18  -0.23     0.05  -0.05   0.06
    16   1     0.01   0.09   0.02     0.08   0.33   0.07    -0.03  -0.10  -0.02
    17   1     0.02  -0.09  -0.10    -0.01   0.01   0.02     0.02   0.03   0.04
    18   1    -0.05   0.07   0.04     0.01  -0.01  -0.02     0.02  -0.04   0.01
    19   1    -0.07  -0.13   0.05     0.02   0.03  -0.01     0.02   0.04  -0.02
    20   1    -0.26   0.16   0.19     0.11   0.38   0.03    -0.17   0.21   0.15
    21   1     0.21  -0.03  -0.15    -0.33   0.22  -0.25     0.02   0.04  -0.15
    22   1     0.21   0.13   0.35    -0.12  -0.22   0.03     0.09  -0.01   0.26
    23   1    -0.29   0.08  -0.12    -0.01   0.11   0.05    -0.03   0.38   0.17
    24   1     0.25   0.33  -0.10    -0.02   0.02  -0.10     0.01   0.09  -0.24
    25   1     0.32  -0.12  -0.12    -0.05  -0.02   0.09    -0.11  -0.07   0.31
    26   1    -0.10  -0.08  -0.08    -0.19  -0.14  -0.17     0.26   0.22   0.24
    27   1     0.01   0.07  -0.14     0.01   0.13  -0.25    -0.03  -0.18   0.37
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1533.0671              1811.5935              3034.1187
 Red. masses --      1.0897                12.3153                 1.0356
 Frc consts  --      1.5090                23.8131                 5.6172
 IR Inten    --      6.7608               201.4254                26.9812
 RamAct Fr= 1--      6.2142                11.5676               123.8608
  Dep-P Fr= 1--      0.5916                 0.5579                 0.0142
  Dep-U Fr= 1--      0.7434                 0.7162                 0.0280
 Alpha2 Fr= 1--      0.0183                 0.0423                 2.6626
 Beta2  Fr= 1--      0.7699                 1.3808                 0.5776
 AlphaG Fr= 1--      0.0352                 0.0304                -0.1677
 Gamma2 Fr= 1--      1.0668                -0.3859                 0.1140
 Delta2 Fr= 1--      0.1218                 1.3964                 0.0357
 Raman1 Fr= 1--      24.857                 46.271                495.443
 ROA1   Fr= 1--     106.308                  7.638                 12.081
 CID1   Fr= 1--       4.277                  0.165                  0.024
 Raman2 Fr= 1--       9.239                 16.570                  6.931
 ROA2   Fr= 1--      24.628                -20.433                  2.450
 CID2   Fr= 1--       2.666                 -1.233                  0.353
 Raman3 Fr= 1--      18.479                 33.140                 13.863
 ROA3   Fr= 1--     106.308                  7.638                 12.081
 CID3   Fr= 1--       5.753                  0.230                  0.871
 RC180  Fr= 1--       0.487                  0.432                 -0.944
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.00    -0.01  -0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.02  -0.01   0.02    -0.00  -0.02   0.01     0.01   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.05   0.71   0.38     0.00   0.00   0.00
     4   8    -0.00   0.00   0.00    -0.03  -0.46  -0.25     0.00  -0.00  -0.00
     5   6    -0.01   0.02   0.01    -0.01  -0.04  -0.02    -0.00  -0.00  -0.00
     6   6     0.01  -0.01  -0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
     7   6     0.01  -0.05   0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.04   0.02  -0.01
     9   1     0.20   0.08  -0.04     0.03   0.05  -0.01     0.01   0.02   0.05
    10   1     0.02  -0.03  -0.22    -0.02   0.03  -0.07    -0.07  -0.03  -0.01
    11   6    -0.01   0.01  -0.01     0.01   0.01  -0.01     0.00   0.00  -0.00
    12   6    -0.01   0.01   0.02     0.01   0.00   0.01    -0.00   0.00  -0.00
    13   6    -0.01   0.00  -0.04    -0.00  -0.02  -0.02     0.00   0.00   0.00
    14   1    -0.01  -0.02  -0.02     0.01  -0.03  -0.03    -0.00   0.00  -0.00
    15   1    -0.24   0.24  -0.31    -0.00   0.01  -0.02     0.01   0.02   0.01
    16   1     0.12   0.44   0.09    -0.00   0.01   0.01    -0.01   0.00  -0.01
    17   1     0.01   0.01   0.02     0.04   0.03   0.01    -0.08  -0.40   0.37
    18   1     0.01  -0.02  -0.00     0.07  -0.10  -0.01     0.51   0.36   0.17
    19   1     0.01   0.01  -0.01     0.03   0.04   0.02     0.08  -0.21  -0.45
    20   1    -0.05  -0.15  -0.01    -0.03   0.01   0.01     0.01  -0.00   0.02
    21   1     0.11  -0.09   0.11    -0.06   0.03   0.03    -0.01  -0.02  -0.01
    22   1     0.05   0.08  -0.01    -0.04  -0.09   0.04    -0.02   0.02   0.01
    23   1    -0.08  -0.24  -0.16    -0.04   0.03   0.01    -0.02  -0.01   0.03
    24   1     0.05   0.02   0.12    -0.05  -0.02  -0.10     0.05  -0.04  -0.02
    25   1     0.15   0.03  -0.26    -0.04   0.04   0.02     0.02   0.03   0.01
    26   1     0.20   0.16   0.18     0.01   0.03   0.03     0.01   0.03  -0.03
    27   1    -0.01  -0.15   0.28    -0.03  -0.02   0.01    -0.04  -0.04  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.8600              3038.9537              3048.8986
 Red. masses --      1.0371                 1.0381                 1.0611
 Frc consts  --      5.6277                 5.6486                 5.8113
 IR Inten    --     16.4192                30.2370                29.7630
 RamAct Fr= 1--      4.8589               270.0423                74.5572
  Dep-P Fr= 1--      0.6234                 0.0293                 0.2505
  Dep-U Fr= 1--      0.7680                 0.0570                 0.4006
 Alpha2 Fr= 1--      0.0112                 5.6018                 0.8824
 Beta2  Fr= 1--      0.6220                 2.5658                 4.9781
 AlphaG Fr= 1--     -0.0368                -0.3993                -0.3773
 Gamma2 Fr= 1--     -1.0246                 1.3782                 3.1578
 Delta2 Fr= 1--     -0.3328                 0.0921                -4.7901
 Raman1 Fr= 1--      19.436               1080.169                298.229
 ROA1   Fr= 1--    -109.007                135.255                149.867
 CID1   Fr= 1--      -5.609                  0.125                  0.503
 Raman2 Fr= 1--       7.464                 30.790                 59.738
 ROA2   Fr= 1--     -21.927                 32.340                114.109
 CID2   Fr= 1--      -2.938                  1.050                  1.910
 Raman3 Fr= 1--      14.927                 61.580                119.476
 ROA3   Fr= 1--    -109.007                135.255                149.867
 CID3   Fr= 1--      -7.303                  2.196                  1.254
 RC180  Fr= 1--       0.536                 -0.886                 -0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.05  -0.01   0.04
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.03   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.08  -0.16  -0.49
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.68   0.32   0.08
    11   6    -0.03  -0.01   0.02    -0.02  -0.01   0.02    -0.00   0.00  -0.00
    12   6     0.03  -0.01   0.01    -0.03   0.02  -0.02    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01    -0.02   0.02   0.02    -0.03   0.03   0.03
    15   1    -0.01  -0.01  -0.01     0.01   0.02   0.01    -0.14  -0.28  -0.13
    16   1     0.02  -0.01   0.02    -0.02   0.01  -0.03     0.08  -0.03   0.10
    17   1    -0.01  -0.04   0.03     0.00   0.02  -0.01    -0.01  -0.05   0.04
    18   1     0.05   0.03   0.02    -0.02  -0.01  -0.01     0.04   0.03   0.01
    19   1     0.01  -0.02  -0.04    -0.00   0.01   0.02     0.01  -0.02  -0.04
    20   1    -0.20   0.07  -0.30    -0.16   0.05  -0.24     0.00  -0.00   0.00
    21   1     0.12   0.34   0.15     0.09   0.26   0.11     0.00   0.00   0.00
    22   1     0.45  -0.33  -0.14     0.34  -0.25  -0.11     0.01  -0.01  -0.00
    23   1     0.14   0.10  -0.19    -0.18  -0.13   0.26    -0.00  -0.00   0.00
    24   1    -0.33   0.30   0.13     0.43  -0.38  -0.16     0.02  -0.02  -0.01
    25   1    -0.12  -0.25  -0.09     0.15   0.32   0.11     0.01   0.01   0.01
    26   1    -0.01  -0.04   0.04    -0.02  -0.04   0.05     0.01   0.03  -0.03
    27   1     0.02   0.02   0.01     0.04   0.05   0.02    -0.03  -0.03  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.5550              3061.7970              3084.8753
 Red. masses --      1.0620                 1.0691                 1.0961
 Frc consts  --      5.8416                 5.9050                 6.1455
 IR Inten    --     27.6999                35.1386                13.8919
 RamAct Fr= 1--     87.1666               221.0096               126.8038
  Dep-P Fr= 1--      0.1433                 0.1001                 0.2836
  Dep-U Fr= 1--      0.2506                 0.1820                 0.4418
 Alpha2 Fr= 1--      1.3706                 3.8684                 1.3653
 Beta2  Fr= 1--      3.6411                 6.7047                 9.3376
 AlphaG Fr= 1--      1.1867                -0.1377                 1.1999
 Gamma2 Fr= 1--     17.9155               -15.3231                18.2232
 Delta2 Fr= 1--      7.9968                -5.1429                 7.4387
 Raman1 Fr= 1--     348.666                884.038                507.215
 ROA1   Fr= 1--    1975.788              -1635.591               1987.464
 CID1   Fr= 1--       5.667                 -1.850                  3.918
 Raman2 Fr= 1--      43.694                 80.456                112.051
 ROA2   Fr= 1--     365.999               -326.611                377.847
 CID2   Fr= 1--       8.376                 -4.059                  3.372
 Raman3 Fr= 1--      87.387                160.912                224.102
 ROA3   Fr= 1--    1975.788              -1635.591               1987.464
 CID3   Fr= 1--      22.610                -10.164                  8.869
 RC180  Fr= 1--      -0.499                 -0.636                 -0.116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.03    -0.03  -0.03  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01    -0.01   0.01   0.01    -0.04   0.03   0.04
     7   6     0.00   0.02   0.00    -0.01  -0.06  -0.01     0.01   0.01   0.02
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.01   0.02   0.05    -0.05  -0.11  -0.34     0.06   0.15   0.49
    10   1    -0.02  -0.01  -0.00     0.16   0.08   0.02     0.32   0.15   0.02
    11   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.03  -0.02  -0.05    -0.01  -0.00  -0.01     0.01   0.01   0.01
    14   1     0.06  -0.06  -0.07     0.17  -0.16  -0.17     0.42  -0.40  -0.43
    15   1    -0.11  -0.22  -0.11     0.32   0.65   0.31    -0.05  -0.11  -0.05
    16   1     0.05  -0.01   0.06    -0.16   0.05  -0.19    -0.12   0.05  -0.14
    17   1    -0.01  -0.03   0.03    -0.00  -0.02   0.01    -0.00  -0.02   0.02
    18   1     0.03   0.02   0.01     0.02   0.01   0.01    -0.04  -0.03  -0.01
    19   1     0.01  -0.02  -0.03     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.02
    21   1    -0.01  -0.05  -0.02    -0.00  -0.00  -0.00     0.02   0.04   0.02
    22   1    -0.08   0.06   0.03    -0.02   0.02   0.01     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.02  -0.02   0.04
    24   1    -0.01   0.01   0.00    -0.03   0.03   0.01    -0.01   0.01   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    26   1    -0.12  -0.31   0.34    -0.03  -0.09   0.10     0.00   0.01  -0.01
    27   1     0.53   0.55   0.26     0.13   0.13   0.06    -0.09  -0.09  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.6215              3094.9777              3097.2986
 Red. masses --      1.0929                 1.1018                 1.1015
 Frc consts  --      6.1389                 6.2183                 6.2257
 IR Inten    --     40.2239                18.2200                12.1475
 RamAct Fr= 1--    162.4525                58.8976                49.7908
  Dep-P Fr= 1--      0.0809                 0.7195                 0.7330
  Dep-U Fr= 1--      0.1497                 0.8369                 0.8459
 Alpha2 Fr= 1--      2.9798                 0.0309                 0.0145
 Beta2  Fr= 1--      4.0519                 8.2150                 7.0200
 AlphaG Fr= 1--     -0.6224                -0.1046                -0.1159
 Gamma2 Fr= 1--    -30.5821                15.4669                14.5847
 Delta2 Fr= 1--    -15.7152                 9.9606                 3.3666
 Raman1 Fr= 1--     649.810                235.591                199.163
 ROA1   Fr= 1--   -3438.769               1803.562               1507.863
 CID1   Fr= 1--      -5.292                  7.655                  7.571
 Raman2 Fr= 1--      48.623                 98.580                 84.240
 ROA2   Fr= 1--    -608.249                291.521                323.100
 CID2   Fr= 1--     -12.510                  2.957                  3.835
 Raman3 Fr= 1--      97.246                197.160                168.480
 ROA3   Fr= 1--   -3438.769               1803.562               1507.863
 CID3   Fr= 1--     -35.362                  9.148                  8.950
 RC180  Fr= 1--      -0.701                  0.674                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.04  -0.03  -0.04    -0.01  -0.01  -0.01     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.03  -0.03  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.01   0.00   0.01
     8   6     0.01   0.01   0.00    -0.05  -0.07   0.01    -0.01  -0.02  -0.00
     9   1     0.05   0.14   0.46     0.01   0.03   0.09    -0.00  -0.00  -0.01
    10   1     0.40   0.18   0.03     0.09   0.04   0.01    -0.01  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.05   0.06  -0.01
    12   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.02
    13   6    -0.01  -0.01  -0.01     0.01   0.02  -0.01    -0.02  -0.04   0.02
    14   1    -0.36   0.34   0.36    -0.04   0.04   0.04     0.04  -0.04  -0.04
    15   1     0.09   0.17   0.08     0.01   0.01   0.01    -0.02  -0.03  -0.01
    16   1    -0.19   0.08  -0.23    -0.03   0.01  -0.04    -0.05   0.02  -0.06
    17   1    -0.01  -0.07   0.07     0.07   0.47  -0.44     0.01   0.09  -0.09
    18   1    -0.08  -0.05  -0.03     0.54   0.37   0.19     0.12   0.08   0.04
    19   1     0.01  -0.02  -0.04    -0.04   0.05   0.15    -0.01   0.02   0.05
    20   1     0.01  -0.00   0.02    -0.05   0.02  -0.08     0.25  -0.07   0.39
    21   1    -0.02  -0.04  -0.02     0.01   0.01   0.01    -0.12  -0.28  -0.13
    22   1    -0.00  -0.00   0.00    -0.07   0.05   0.02     0.43  -0.30  -0.14
    23   1    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.08  -0.07   0.11
    24   1    -0.04   0.04   0.01     0.00  -0.00  -0.00    -0.13   0.12   0.05
    25   1    -0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.15   0.05
    26   1    -0.00  -0.01   0.01    -0.04  -0.12   0.14     0.09   0.25  -0.29
    27   1     0.09   0.09   0.05    -0.06  -0.06  -0.03     0.18   0.18   0.10
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3101.2637              3102.0487              3104.8809
 Red. masses --      1.0998                 1.1009                 1.1006
 Frc consts  --      6.2323                 6.2419                 6.2513
 IR Inten    --     15.4840                19.1886                28.9548
 RamAct Fr= 1--     79.3472                52.7691                83.4565
  Dep-P Fr= 1--      0.7396                 0.7210                 0.6660
  Dep-U Fr= 1--      0.8503                 0.8379                 0.7995
 Alpha2 Fr= 1--      0.0140                 0.0263                 0.1247
 Beta2  Fr= 1--     11.2451                 7.3693                11.1205
 AlphaG Fr= 1--     -0.0519                -0.1736                -0.0308
 Gamma2 Fr= 1--    -14.5098               -16.3070               -29.6783
 Delta2 Fr= 1--    -14.8400                -8.0337                 0.2297
 Raman1 Fr= 1--     317.389                211.076                333.826
 ROA1   Fr= 1--   -1867.824              -1822.548              -2841.770
 CID1   Fr= 1--      -5.885                 -8.635                 -8.513
 Raman2 Fr= 1--     134.942                 88.432                133.446
 ROA2   Fr= 1--    -229.516               -327.097               -714.117
 CID2   Fr= 1--      -1.701                 -3.699                 -5.351
 Raman3 Fr= 1--     269.883                176.863                266.892
 ROA3   Fr= 1--   -1867.824              -1822.548              -2841.770
 CID3   Fr= 1--      -6.921                -10.305                -10.648
 RC180  Fr= 1--       0.701                  0.676                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.02
     8   6     0.00   0.01   0.02     0.00  -0.01  -0.09    -0.00  -0.01   0.01
     9   1    -0.01  -0.02  -0.06     0.00  -0.00   0.00    -0.01  -0.02  -0.07
    10   1    -0.04  -0.02  -0.00    -0.01  -0.00  -0.00    -0.06  -0.02  -0.00
    11   6     0.01   0.01   0.02     0.01  -0.00   0.00     0.01  -0.06  -0.02
    12   6     0.03  -0.06  -0.05     0.01  -0.01  -0.01     0.02  -0.01  -0.02
    13   6     0.02   0.03  -0.01     0.00   0.00  -0.00    -0.02  -0.04   0.02
    14   1    -0.02   0.02   0.02    -0.01   0.01   0.01     0.00   0.00   0.00
    15   1    -0.02  -0.05  -0.02    -0.01  -0.02  -0.01    -0.04  -0.08  -0.04
    16   1    -0.04   0.02  -0.05    -0.03   0.01  -0.03    -0.14   0.06  -0.17
    17   1     0.01   0.03  -0.02    -0.06  -0.35   0.31     0.01   0.07  -0.06
    18   1    -0.09  -0.06  -0.03     0.18   0.13   0.04     0.03   0.02   0.01
    19   1     0.04  -0.08  -0.17    -0.15   0.35   0.72     0.01  -0.02  -0.05
    20   1    -0.09   0.03  -0.14    -0.04   0.01  -0.06    -0.03  -0.00  -0.05
    21   1    -0.05  -0.14  -0.06     0.00   0.01   0.00     0.18   0.48   0.20
    22   1    -0.02   0.02   0.01    -0.04   0.03   0.01    -0.30   0.20   0.09
    23   1    -0.17  -0.15   0.26    -0.04  -0.04   0.07    -0.14  -0.11   0.21
    24   1    -0.39   0.34   0.13    -0.09   0.08   0.03    -0.15   0.14   0.05
    25   1     0.25   0.48   0.16     0.05   0.10   0.04     0.04   0.07   0.02
    26   1    -0.08  -0.21   0.24    -0.01  -0.02   0.02     0.12   0.32  -0.38
    27   1    -0.14  -0.14  -0.08    -0.02  -0.01  -0.01     0.18   0.18   0.10
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3111.3452              3117.0360              3120.4785
 Red. masses --      1.1012                 1.1003                 1.0984
 Frc consts  --      6.2809                 6.2987                 6.3014
 IR Inten    --     38.7663                35.5906                19.9238
 RamAct Fr= 1--     45.0240                45.3470                94.4676
  Dep-P Fr= 1--      0.3690                 0.7346                 0.6436
  Dep-U Fr= 1--      0.5391                 0.8470                 0.7832
 Alpha2 Fr= 1--      0.3712                 0.0120                 0.1812
 Beta2  Fr= 1--      4.0456                 6.4012                12.3305
 AlphaG Fr= 1--     -0.2828                -0.0424                -0.1134
 Gamma2 Fr= 1--     14.2618                24.6235                 3.5514
 Delta2 Fr= 1--      1.2236                12.3774                 4.3393
 Raman1 Fr= 1--     180.096                181.388                377.870
 ROA1   Fr= 1--    1408.288               2759.933                479.795
 CID1   Fr= 1--       7.820                 15.216                  1.270
 Raman2 Fr= 1--      48.547                 76.815                147.966
 ROA2   Fr= 1--     332.495                491.945                 50.521
 CID2   Fr= 1--       6.849                  6.404                  0.341
 Raman3 Fr= 1--      97.094                153.630                295.931
 ROA3   Fr= 1--    1408.288               2759.933                479.795
 CID3   Fr= 1--      14.504                 17.965                  1.621
 RC180  Fr= 1--       0.078                  0.694                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.04  -0.00  -0.05    -0.01  -0.00  -0.01    -0.03   0.00  -0.04
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.02   0.06   0.19     0.00   0.01   0.04     0.01   0.04   0.12
    10   1     0.13   0.06   0.01     0.03   0.01   0.00     0.08   0.04   0.01
    11   6     0.01  -0.01   0.00    -0.05  -0.03  -0.06     0.01   0.00   0.01
    12   6    -0.03  -0.05   0.01     0.00  -0.00  -0.01     0.05   0.04  -0.03
    13   6    -0.01  -0.02   0.01     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1     0.02  -0.02  -0.02    -0.02   0.02   0.02     0.00  -0.00  -0.00
    15   1     0.10   0.21   0.09     0.03   0.06   0.02     0.07   0.16   0.07
    16   1     0.38  -0.16   0.46     0.11  -0.05   0.13     0.34  -0.15   0.41
    17   1     0.00   0.02  -0.02    -0.00  -0.02   0.02     0.00   0.00  -0.00
    18   1     0.03   0.02   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.00   0.00   0.01    -0.00   0.01   0.01    -0.00   0.00   0.01
    20   1    -0.05   0.02  -0.08     0.38  -0.13   0.58    -0.06   0.02  -0.09
    21   1     0.03   0.06   0.03     0.17   0.48   0.19    -0.03  -0.08  -0.03
    22   1    -0.06   0.05   0.02     0.03  -0.04  -0.03    -0.00   0.00   0.00
    23   1     0.19   0.14  -0.29    -0.04  -0.03   0.05    -0.34  -0.26   0.51
    24   1    -0.05   0.03   0.02    -0.04   0.03   0.01    -0.06   0.07   0.02
    25   1     0.20   0.42   0.16     0.02   0.04   0.02    -0.16  -0.34  -0.13
    26   1     0.05   0.15  -0.17    -0.08  -0.23   0.26     0.01   0.03  -0.04
    27   1     0.09   0.09   0.05    -0.09  -0.09  -0.05     0.02   0.02   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1156.156871542.294241871.71619
           X            0.99996  -0.00882   0.00167
           Y            0.00891   0.99756  -0.06919
           Z           -0.00106   0.06920   0.99760
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07492     0.05616     0.04628
 Rotational constants (GHZ):           1.56098     1.17017     0.96422
 Zero-point vibrational energy     632687.8 (Joules/Mol)
                                  151.21600 (Kcal/Mol)
 Warning -- explicit consideration of  16 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.56   264.55   276.93   290.50   304.01
          (Kelvin)            332.22   376.92   423.95   433.83   472.42
                              536.75   612.47   648.87   737.32   755.60
                              863.33   958.09  1042.86  1135.21  1196.03
                             1207.25  1218.89  1288.70  1294.34  1352.41
                             1372.70  1388.73  1394.71  1451.33  1465.85
                             1486.56  1499.62  1572.32  1621.13  1633.25
                             1695.23  1717.33  1757.98  1783.79  1796.63
                             1824.26  1837.51  1862.55  1902.68  1937.48
                             1958.19  2012.29  2040.55  2046.25  2133.91
                             2142.35  2143.90  2151.51  2159.73  2161.32
                             2172.23  2180.65  2205.74  2606.48  4365.42
                             4366.49  4372.38  4386.69  4396.26  4405.24
                             4438.45  4442.40  4452.98  4456.32  4462.03
                             4463.16  4467.23  4476.53  4484.72  4489.67
 
 Zero-point correction=                           0.240978 (Hartree/Particle)
 Thermal correction to Energy=                    0.251725
 Thermal correction to Enthalpy=                  0.252669
 Thermal correction to Gibbs Free Energy=         0.206044
 Sum of electronic and zero-point Energies=           -465.911457
 Sum of electronic and thermal Energies=              -465.900710
 Sum of electronic and thermal Enthalpies=            -465.899766
 Sum of electronic and thermal Free Energies=         -465.946392
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.960             43.409             98.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.591
 Vibrational            156.182             37.447             27.572
 Vibration     1          0.601              1.959              3.752
 Vibration     2          0.631              1.862              2.289
 Vibration     3          0.634              1.850              2.204
 Vibration     4          0.639              1.837              2.116
 Vibration     5          0.643              1.824              2.032
 Vibration     6          0.653              1.794              1.872
 Vibration     7          0.669              1.742              1.649
 Vibration     8          0.689              1.684              1.447
 Vibration     9          0.694              1.671              1.408
 Vibration    10          0.712              1.619              1.268
 Vibration    11          0.744              1.527              1.067
 Vibration    12          0.788              1.414              0.873
 Vibration    13          0.810              1.359              0.793
 Vibration    14          0.868              1.222              0.628
 Vibration    15          0.880              1.194              0.598
 Vibration    16          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.168493D-94        -94.773418       -218.223859
 Total V=0       0.117135D+17         16.068688         36.999522
 Vib (Bot)       0.349374-108       -108.456709       -249.730801
 Vib (Bot)    1  0.239572D+01          0.379437          0.873685
 Vib (Bot)    2  0.109088D+01          0.037776          0.086983
 Vib (Bot)    3  0.103889D+01          0.016570          0.038154
 Vib (Bot)    4  0.986818D+00         -0.005763         -0.013270
 Vib (Bot)    5  0.939482D+00         -0.027111         -0.062426
 Vib (Bot)    6  0.852655D+00         -0.069227         -0.159400
 Vib (Bot)    7  0.740708D+00         -0.130353         -0.300148
 Vib (Bot)    8  0.647342D+00         -0.188866         -0.434880
 Vib (Bot)    9  0.630166D+00         -0.200545         -0.461772
 Vib (Bot)   10  0.569620D+00         -0.244415         -0.562786
 Vib (Bot)   11  0.486998D+00         -0.312473         -0.719495
 Vib (Bot)   12  0.410684D+00         -0.386493         -0.889932
 Vib (Bot)   13  0.379939D+00         -0.420286         -0.967744
 Vib (Bot)   14  0.317150D+00         -0.498735         -1.148381
 Vib (Bot)   15  0.305900D+00         -0.514421         -1.184498
 Vib (Bot)   16  0.248834D+00         -0.604090         -1.390969
 Vib (V=0)       0.242883D+03          2.385397          5.492579
 Vib (V=0)    1  0.294734D+01          0.469431          1.080904
 Vib (V=0)    2  0.170001D+01          0.230451          0.530632
 Vib (V=0)    3  0.165295D+01          0.218260          0.502562
 Vib (V=0)    4  0.160626D+01          0.205816          0.473908
 Vib (V=0)    5  0.156425D+01          0.194306          0.447406
 Vib (V=0)    6  0.148844D+01          0.172732          0.397731
 Vib (V=0)    7  0.139367D+01          0.144160          0.331942
 Vib (V=0)    8  0.131796D+01          0.119901          0.276082
 Vib (V=0)    9  0.130443D+01          0.115421          0.265767
 Vib (V=0)   10  0.125794D+01          0.099658          0.229472
 Vib (V=0)   11  0.119797D+01          0.078447          0.180631
 Vib (V=0)   12  0.114704D+01          0.059579          0.137185
 Vib (V=0)   13  0.112798D+01          0.052300          0.120425
 Vib (V=0)   14  0.109210D+01          0.038263          0.088104
 Vib (V=0)   15  0.108615D+01          0.035891          0.082642
 Vib (V=0)   16  0.105850D+01          0.024689          0.056850
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.653970D+06          5.815558         13.390816
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000037599    0.000019168   -0.000005098
      2        6          -0.000002106    0.000008803   -0.000002381
      3        6          -0.000016150   -0.000039130    0.000016469
      4        8          -0.000004764    0.000001143   -0.000001256
      5        6           0.000011724    0.000019384   -0.000017198
      6        6           0.000002633   -0.000014174    0.000000313
      7        6          -0.000022461   -0.000025110    0.000014448
      8        6          -0.000006918    0.000008412   -0.000001871
      9        1           0.000016720    0.000003054   -0.000003343
     10        1           0.000003337    0.000002564   -0.000004853
     11        6          -0.000007239    0.000010104   -0.000002703
     12        6          -0.000001933   -0.000002322    0.000007317
     13        6          -0.000007911    0.000004980   -0.000010840
     14        1          -0.000003652   -0.000005885   -0.000005214
     15        1           0.000002695    0.000002058    0.000002364
     16        1           0.000003865    0.000000601   -0.000006832
     17        1           0.000000506   -0.000000629    0.000000907
     18        1          -0.000007328    0.000003835    0.000001678
     19        1          -0.000003484   -0.000001810   -0.000000522
     20        1          -0.000012374   -0.000001121    0.000004398
     21        1           0.000005471    0.000002947    0.000002104
     22        1          -0.000001534   -0.000001014    0.000001089
     23        1          -0.000001276   -0.000000580    0.000002169
     24        1           0.000007468    0.000001108    0.000001121
     25        1          -0.000002820   -0.000001290    0.000001659
     26        1           0.000010146    0.000001056    0.000010378
     27        1          -0.000000218    0.000003848   -0.000004305
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039130 RMS     0.000009953
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.124432D+03  0.319251D+00 -0.363690D+00
      2   0.319251D+00  0.115143D+03  0.866560D+00
      3  -0.363690D+00  0.866560D+00  0.105939D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.166463D+01  0.802902D+01 -0.129320D+02
      2  -0.753934D+01 -0.349194D+00 -0.355419D+01
      3   0.169925D+02 -0.366158D+01 -0.208537D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.810557D+00 -0.179321D+02  0.105777D+01
      2   0.767616D+01  0.292395D+02 -0.237331D+02
      3  -0.686560D+01 -0.113073D+02  0.226753D+02
      4   0.100268D+02  0.967109D+01  0.268159D+01
      5   0.135218D+02  0.204471D+01 -0.121829D+02
      6   0.205012D+01 -0.913996D+01  0.146942D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.356755D+01  0.333249D+01  0.633467D+00  0.363137D+01 -0.766847D+00
      2   0.333249D+01 -0.656417D+00  0.118188D+01 -0.766847D+00 -0.436142D+01
      3   0.633467D+00  0.118188D+01  0.187365D+01  0.148841D+01  0.129111D+01
                 6             7             8             9            10 
      1   0.148841D+01  0.189983D+01  0.229481D+01  0.135035D+01 -0.414918D+01
      2   0.129111D+01  0.229481D+01  0.216594D+01 -0.381531D+01 -0.449015D+01
      3  -0.357916D+01  0.135035D+01 -0.381531D+01 -0.163006D+01 -0.238059D+00
                11            12            13            14            15 
      1  -0.449015D+01 -0.238059D+00 -0.392135D+01  0.597481D+00  0.412835D+00
      2  -0.346024D+00  0.611218D+00  0.597481D+00  0.234340D+01 -0.182735D+01
      3   0.611218D+00  0.633387D+00  0.412835D+00 -0.182735D+01  0.270745D+01
                16            17            18            19            20 
      1  -0.181706D+01 -0.896889D-01 -0.543455D+00 -0.467354D+00 -0.149327D+01
      2  -0.896889D-01 -0.317530D+01  0.277129D+01 -0.149327D+01  0.228093D+01
      3  -0.543455D+00  0.277129D+01  0.404799D+01 -0.821080D+00  0.485344D+00
                21            22            23            24            25 
      1  -0.821080D+00 -0.457895D+01  0.183330D+01  0.303054D+00 -0.229660D+01
      2   0.485344D+00  0.183330D+01  0.452887D+01  0.193924D+01  0.515160D+00
      3  -0.586696D+00  0.303054D+00  0.193924D+01  0.724702D+00 -0.925694D+00
                26            27            28            29            30 
      1   0.515160D+00 -0.925694D+00 -0.572401D-01 -0.232361D+01 -0.104618D+01
      2   0.236389D+01  0.158450D+01 -0.232361D+01 -0.310654D+00 -0.125507D+00
      3   0.158450D+01  0.890782D+00 -0.104618D+01 -0.125507D+00 -0.105246D+00
                31            32            33            34            35 
      1  -0.617084D+00 -0.414329D+00 -0.622352D-01 -0.405132D+00 -0.286047D+00
      2  -0.414329D+00 -0.117823D+02 -0.356621D+01 -0.286047D+00 -0.358013D+01
      3  -0.622352D-01 -0.356621D+01 -0.229923D+01  0.120777D+00 -0.383623D+01
                36            37            38            39            40 
      1   0.120777D+00 -0.283523D+01  0.832630D+00  0.455826D+00  0.231597D+01
      2  -0.383623D+01  0.832630D+00 -0.220443D+01 -0.265655D+01 -0.358164D+01
      3  -0.383267D+01  0.455826D+00 -0.265655D+01  0.259428D+01 -0.409560D+01
                41            42            43            44            45 
      1  -0.358164D+01 -0.409560D+01  0.897041D+00 -0.379379D+01  0.354329D+01
      2  -0.144597D+01 -0.109435D+01 -0.379379D+01 -0.180035D+01  0.183892D+00
      3  -0.109435D+01  0.100271D+01  0.354329D+01  0.183892D+00 -0.431133D+00
                46            47            48            49            50 
      1   0.102892D+01  0.520344D+00 -0.178009D+01  0.514407D+00  0.302399D+01
      2   0.520344D+00  0.207833D+01  0.407389D+01  0.302399D+01  0.799936D+00
      3  -0.178009D+01  0.407389D+01 -0.544642D+00  0.472340D+01  0.115073D+00
                51            52            53            54            55 
      1   0.472340D+01 -0.140720D+01  0.465509D+01 -0.867271D-01  0.153126D+00
      2   0.115073D+00  0.465509D+01  0.921104D+00 -0.201332D+01  0.388138D+00
      3  -0.117368D+01 -0.867271D-01 -0.201332D+01 -0.257131D+00  0.109460D+01
                56            57            58            59            60 
      1   0.388138D+00  0.109460D+01  0.103126D+01 -0.229051D+01 -0.278982D+01
      2  -0.235992D+01 -0.333751D+01 -0.229051D+01 -0.338349D+01 -0.121343D+01
      3  -0.333751D+01  0.178628D+01 -0.278982D+01 -0.121343D+01  0.136217D+00
                61            62            63            64            65 
      1   0.110939D+01 -0.354208D+01  0.237606D+01 -0.227042D+01 -0.370691D+01
      2  -0.354208D+01 -0.174108D+01 -0.791536D+00 -0.370691D+01  0.199060D+00
      3   0.237606D+01 -0.791536D+00  0.335664D+00 -0.783751D+00 -0.149937D+01
                66            67            68            69            70 
      1  -0.783751D+00 -0.403462D+01 -0.745836D+00 -0.162409D+01 -0.505739D+00
      2  -0.149937D+01 -0.745836D+00  0.251485D+01 -0.171419D+01 -0.177079D+01
      3  -0.132366D+01 -0.162409D+01 -0.171419D+01  0.408288D+01 -0.204577D+01
                71            72            73            74            75 
      1  -0.177079D+01 -0.204577D+01  0.395407D+00  0.232121D+00 -0.105199D+01
      2  -0.185675D+01  0.418791D+01  0.232121D+00 -0.190505D+00 -0.470703D-01
      3   0.418791D+01  0.177765D+01 -0.105199D+01 -0.470703D-01 -0.256589D+00
                76            77            78            79            80 
      1  -0.239215D-01  0.248193D+00  0.315592D+00 -0.134152D+01  0.719225D-01
      2   0.248193D+00 -0.744817D+00 -0.892008D+00  0.719225D-01 -0.992029D+00
      3   0.315592D+00 -0.892008D+00 -0.185287D+01  0.109907D+01 -0.497075D+00
                81            82            83            84            85 
      1   0.109907D+01  0.864389D+01  0.328261D+01 -0.115764D+01  0.269565D+01
      2  -0.497075D+00  0.328261D+01  0.255673D+01 -0.702204D+00  0.191048D+01
      3  -0.811628D+01 -0.115764D+01 -0.702204D+00  0.107039D+01 -0.478119D+00
                86            87            88            89            90 
      1   0.191048D+01 -0.478119D+00  0.488764D+00  0.124435D+00  0.111229D+01
      2   0.203318D+01 -0.187950D+00  0.124435D+00  0.665106D+00  0.292434D+00
      3  -0.187950D+00  0.279067D+00  0.111229D+01  0.292434D+00 -0.617294D+00
                91            92            93            94            95 
      1   0.277546D+01 -0.181956D+01 -0.129941D+01 -0.304349D+01  0.314923D+01
      2  -0.181956D+01  0.196162D+01  0.305109D+01  0.314923D+01  0.294079D+01
      3  -0.129941D+01  0.305109D+01 -0.303184D+01  0.401097D+01  0.111654D+01
                96            97            98            99           100 
      1   0.401097D+01 -0.314183D+00  0.327981D+01 -0.337398D+01  0.239363D+01
      2   0.111654D+01  0.327981D+01  0.196894D+01 -0.587917D-01 -0.152586D+01
      3  -0.908336D+00 -0.337398D+01 -0.587917D-01 -0.148212D+01 -0.412860D+00
               101           102           103           104           105 
      1  -0.152586D+01 -0.412860D+00 -0.150978D+01  0.409771D+01  0.306757D+01
      2   0.294679D+01  0.249197D+01  0.409771D+01  0.116470D+01  0.183161D+01
      3   0.249197D+01 -0.329214D+01  0.306757D+01  0.183161D+01 -0.441204D+00
               106           107           108           109           110 
      1  -0.140480D+01  0.352590D+01 -0.337463D+01 -0.518751D+00 -0.303445D+01
      2   0.352590D+01  0.129593D+01 -0.426681D+00 -0.303445D+01 -0.156495D+01
      3  -0.337463D+01 -0.426681D+00  0.111523D+01  0.177599D+00 -0.410578D+01
               111           112           113           114           115 
      1   0.177599D+00 -0.317343D+01 -0.162030D+01 -0.402054D+01  0.560279D+00
      2  -0.410578D+01 -0.162030D+01  0.374422D+00 -0.197926D+01 -0.376369D+01
      3  -0.614249D+00 -0.402054D+01 -0.197926D+01  0.301082D+01 -0.870948D+00
               116           117           118           119           120 
      1  -0.376369D+01 -0.870948D+00 -0.403071D+01  0.197520D+01  0.219141D+01
      2  -0.104352D+01  0.355428D+01  0.197520D+01 -0.230224D+01 -0.155068D+01
      3   0.355428D+01 -0.751217D+00  0.219141D+01 -0.155068D+01 -0.178558D+01
               121           122           123           124           125 
      1   0.166329D+01 -0.226424D+01 -0.157017D+01  0.196392D+01 -0.163762D+01
      2  -0.226424D+01  0.398706D+01  0.194445D+01 -0.163762D+01  0.194890D+01
      3  -0.157017D+01  0.194445D+01  0.193888D+01 -0.201446D+01  0.232937D+01
               126           127           128           129           130 
      1  -0.201446D+01  0.150842D+01  0.184072D+01  0.128008D+00  0.147698D+01
      2   0.232937D+01  0.184072D+01  0.290584D+01  0.626517D+00  0.216741D+01
      3   0.353380D+01  0.128008D+00  0.626517D+00  0.245899D+00  0.409704D+00
               131           132           133           134           135 
      1   0.216741D+01  0.409704D+00  0.524814D+00  0.970701D+00  0.184032D+00
      2   0.941840D+01  0.122992D+01  0.970701D+00  0.283017D+01  0.159458D+01
      3   0.122992D+01  0.105287D+01  0.184032D+00  0.159458D+01  0.956055D+00
               136           137           138           139           140 
      1  -0.296058D+01  0.123167D+01 -0.179309D+01  0.585023D+00 -0.107347D+01
      2   0.123167D+01 -0.175508D+01  0.147446D+01 -0.107347D+01  0.275848D+01
      3  -0.179309D+01  0.147446D+01 -0.194272D+01  0.873113D+00 -0.142627D+01
               141           142           143           144           145 
      1   0.873113D+00 -0.204181D+01  0.126561D+01 -0.192093D+01 -0.397988D-01
      2  -0.142627D+01  0.126561D+01 -0.213671D+01  0.216481D+01 -0.450488D+00
      3   0.129640D+01 -0.192093D+01  0.216481D+01 -0.376266D+01  0.709548D+00
               146           147           148           149           150 
      1  -0.450488D+00  0.709548D+00 -0.108764D+01  0.141543D+01 -0.418802D+00
      2  -0.302785D+00  0.178395D+00  0.141543D+01 -0.552193D+01  0.272530D+01
      3   0.178395D+00 -0.128751D+00 -0.418802D+00  0.272530D+01 -0.258405D+01
               151           152           153           154           155 
      1   0.144681D+01 -0.794894D+00  0.954278D+00  0.838787D+01  0.161987D+01
      2  -0.794894D+00  0.324068D+01 -0.295030D+01  0.161987D+01  0.120477D+01
      3   0.954278D+00 -0.295030D+01  0.300192D+01  0.150830D+01  0.361507D+00
               156           157           158           159           160 
      1   0.150830D+01  0.411959D+01  0.145695D+01  0.770673D+00  0.190696D+01
      2   0.361507D+00  0.145695D+01  0.150950D+01  0.555112D+00  0.414212D+00
      3   0.125659D+01  0.770673D+00  0.555112D+00  0.437499D+00  0.173210D+01
               161           162           163           164           165 
      1   0.414212D+00  0.173210D+01  0.169969D+01 -0.581954D+00 -0.130923D+01
      2   0.637919D+00 -0.104838D+00 -0.581954D+00  0.643006D+00  0.844537D+00
      3  -0.104838D+00  0.754766D+00 -0.130923D+01  0.844537D+00  0.110686D+01
               166           167           168           169           170 
      1  -0.100347D+01  0.144293D+01  0.102961D+01 -0.300226D+01  0.179344D+01
      2   0.144293D+01 -0.263405D+01 -0.145932D+01  0.179344D+01 -0.222432D+01
      3   0.102961D+01 -0.145932D+01 -0.202676D+01  0.222497D+01 -0.249088D+01
               171           172           173           174           175 
      1   0.222497D+01  0.164800D+01  0.211254D+00  0.116185D+01  0.119906D+00
      2  -0.249088D+01  0.211254D+00  0.646427D+00 -0.853328D+00  0.273354D-01
      3  -0.487520D+01  0.116185D+01 -0.853328D+00  0.226488D+01 -0.552858D+00
               176           177           178           179           180 
      1   0.273354D-01 -0.552858D+00  0.155012D+01 -0.270580D+00  0.107487D+01
      2  -0.121287D+01  0.116043D+01 -0.270580D+00  0.117925D+01 -0.155042D+01
      3   0.116043D+01 -0.122592D+01  0.107487D+01 -0.155042D+01  0.633363D+01
               181           182           183           184           185 
      1  -0.249700D+01 -0.174014D+01  0.101184D-02 -0.257814D+01 -0.323677D+01
      2  -0.174014D+01 -0.206117D+01 -0.399060D+00 -0.323677D+01 -0.635049D+01
      3   0.101184D-02 -0.399060D+00 -0.906100D-01 -0.199523D+00 -0.169866D+00
               186           187           188           189           190 
      1  -0.199523D+00 -0.118306D+01 -0.109823D+01 -0.135927D+00 -0.744878D+01
      2  -0.169866D+00 -0.109823D+01 -0.148433D+01 -0.756663D+00  0.160461D+01
      3  -0.113219D+01 -0.135927D+00 -0.756663D+00 -0.660749D+00  0.256445D+01
               191           192           193           194           195 
      1   0.160461D+01  0.256445D+01  0.371216D+01 -0.196376D+01 -0.173775D+01
      2  -0.153080D+01 -0.676703D+00 -0.196376D+01  0.143869D+01  0.595381D+00
      3  -0.676703D+00 -0.165236D+01 -0.173775D+01  0.595381D+00  0.154272D+01
               196           197           198           199           200 
      1   0.166259D+01 -0.777771D+00 -0.142542D+01  0.166871D+01  0.845638D+00
      2  -0.777771D+00  0.180885D+00  0.590242D+00  0.845638D+00  0.490921D+00
      3  -0.142542D+01  0.590242D+00  0.168186D+01 -0.730946D+00 -0.699722D+00
               201           202           203           204           205 
      1  -0.730946D+00  0.998331D+00  0.958988D-01 -0.353129D+00 -0.115188D+01
      2  -0.699722D+00  0.958988D-01  0.126811D+01 -0.145314D+01 -0.669185D+00
      3   0.215159D+01 -0.353129D+00 -0.145314D+01  0.169568D+01  0.832508D+00
               206           207           208           209           210 
      1  -0.669185D+00  0.832508D+00 -0.671983D+01  0.285485D+01 -0.246120D+00
      2  -0.149971D+01  0.173762D+01  0.285485D+01 -0.241723D+01 -0.103338D+00
      3   0.173762D+01 -0.571391D+01 -0.246120D+00 -0.103338D+00 -0.741001D+00
               211           212           213           214           215 
      1   0.386179D+01 -0.313631D+01 -0.100062D-01  0.160866D+01 -0.843645D+00
      2  -0.313631D+01  0.303579D+01 -0.317487D+00 -0.843645D+00  0.504520D+00
      3  -0.100062D-01 -0.317487D+00  0.945061D+00 -0.510127D+00  0.623408D+00
               216           217           218           219           220 
      1  -0.510127D+00 -0.334992D+01 -0.158819D+01 -0.136054D+01 -0.310783D+01
      2   0.623408D+00 -0.158819D+01 -0.179295D+01 -0.103465D+01 -0.268231D+01
      3   0.389551D+00 -0.136054D+01 -0.103465D+01 -0.785016D+00 -0.191448D+01
               221           222           223           224           225 
      1  -0.268231D+01 -0.191448D+01 -0.110617D+01 -0.115338D+01 -0.102872D+01
      2  -0.387721D+01 -0.169210D+01 -0.115338D+01 -0.119093D+01 -0.129348D+01
      3  -0.169210D+01 -0.218033D+01 -0.102872D+01 -0.129348D+01 -0.187978D+01
               226           227           228           229           230 
      1  -0.969932D+00 -0.425828D+00  0.106610D+01 -0.718201D+00  0.716963D-02
      2  -0.425828D+00 -0.138694D+00  0.603933D+00  0.716963D-02 -0.236243D+01
      3   0.106610D+01  0.603933D+00 -0.500984D+00  0.502508D+00  0.232001D+01
               231           232           233           234           235 
      1   0.502508D+00  0.108045D+01  0.396937D+00 -0.195129D+00  0.444405D+01
      2   0.232001D+01  0.396937D+00  0.151278D+01 -0.225745D+01  0.240826D+01
      3  -0.334402D+01 -0.195129D+00 -0.225745D+01  0.630300D+01  0.233880D+01
               236           237           238           239           240 
      1   0.240826D+01  0.233880D+01  0.267216D+01  0.230283D+01  0.191969D+01
      2   0.201943D+01  0.180675D+01  0.230283D+01  0.356082D+01  0.216876D+01
      3   0.180675D+01  0.239827D+01  0.191969D+01  0.216876D+01  0.189480D+01
               241           242           243 
      1   0.127779D+01  0.118337D+01  0.184733D+01
      2   0.118337D+01  0.130914D+01  0.122864D+01
      3   0.184733D+01  0.122864D+01  0.288831D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.356885D+00  0.273121D+01  0.499205D+00  0.709772D+00  0.221604D+01
      2  -0.296135D+01 -0.976742D-01  0.120375D+02  0.189553D+01  0.256427D+01
      3  -0.546707D+01 -0.707507D+01 -0.115839D+00  0.366984D+01  0.620950D+01
                 6             7             8             9            10 
      1  -0.508842D+01  0.153465D+01  0.203260D+01 -0.543988D+00  0.547791D+01
      2  -0.660745D+01 -0.516565D+00 -0.108615D+02 -0.462425D+01 -0.158492D+01
      3  -0.265920D+01 -0.390487D+01 -0.788608D+01  0.521959D+01  0.840430D+01
                11            12            13            14            15 
      1  -0.214117D+01 -0.173779D+01 -0.177766D+01  0.138424D+01 -0.163583D+01
      2  -0.370492D+00  0.335200D+01 -0.425993D+01 -0.190165D+01  0.647099D+01
      3  -0.562863D+01 -0.150006D+01 -0.254540D+01 -0.354468D+01  0.389124D+01
                16            17            18            19            20 
      1  -0.906747D+00  0.464972D+01 -0.874224D+01  0.114850D+00 -0.125279D+01
      2  -0.394793D+01  0.881862D+01  0.106105D+02  0.289091D+01  0.448396D+01
      3  -0.294685D+00  0.887146D+01 -0.514449D+01  0.234380D+01 -0.159376D+00
                21            22            23            24            25 
      1  -0.141214D+01  0.124523D+01 -0.700355D+01  0.580888D+01 -0.109161D+01
      2  -0.662166D+01  0.106043D+02 -0.116497D+01  0.293660D+01 -0.218807D+02
      3  -0.351525D+01  0.808550D+01 -0.355259D+01  0.100967D+01 -0.957890D+01
                26            27            28            29            30 
      1   0.901997D+01  0.861081D+01 -0.190529D+00  0.594038D+00 -0.723299D-01
      2   0.396736D+01  0.203359D+01 -0.125909D+01 -0.196988D+01  0.344094D+01
      3   0.625962D+00 -0.115648D+01 -0.919867D+00  0.130213D+01  0.239247D+01
                31            32            33            34            35 
      1  -0.558202D+00  0.387752D+01 -0.991968D+01 -0.298560D-03  0.202550D-01
      2  -0.910030D+01  0.200139D+00  0.204404D+01  0.194564D+01  0.730733D-01
      3   0.114372D+02  0.250365D+01  0.147862D+01  0.906897D+01  0.100522D+01
                36            37            38            39            40 
      1  -0.680282D+01  0.539390D+00 -0.217492D+01  0.292543D+01 -0.809498D+00
      2   0.704509D+00  0.114520D+01  0.312193D+01  0.158775D+01  0.679258D+01
      3   0.119164D+01 -0.119271D+01 -0.122432D+02 -0.451433D+01 -0.224980D+01
                41            42            43            44            45 
      1  -0.138031D+01 -0.644124D+01  0.202623D+01  0.329023D+01 -0.275280D+00
      2   0.402866D+01 -0.510883D+01 -0.861855D+01  0.930826D+00 -0.160837D+01
      3  -0.145160D+01 -0.473654D+01 -0.642255D+01 -0.161710D+01  0.431204D+00
                46            47            48            49            50 
      1   0.384554D+01 -0.500419D+01  0.543785D+01 -0.564033D+01  0.238403D-01
      2   0.191872D+01 -0.215085D+01  0.563611D+01 -0.459718D+01 -0.152443D+01
      3  -0.254879D+01 -0.216844D+01 -0.601328D+00  0.556891D+01  0.489372D+01
                51            52            53            54            55 
      1  -0.238280D+00  0.595920D+01  0.804141D+01 -0.860838D+00 -0.458947D+01
      2  -0.374519D+01 -0.236421D+01 -0.480296D+01 -0.454767D+00 -0.980770D+00
      3   0.635097D+01  0.549954D+00  0.661867D+01 -0.197843D+01  0.394388D+00
                56            57            58            59            60 
      1   0.121308D+02 -0.485153D+01  0.110468D+02  0.594976D+01 -0.251636D+01
      2   0.493880D+00  0.335922D+01  0.958746D+00 -0.113339D+01 -0.202396D+01
      3  -0.164535D+01  0.338795D+01  0.659990D+01 -0.618196D+01 -0.918144D+01
                61            62            63            64            65 
      1  -0.649368D+01  0.532503D+01 -0.175200D+01 -0.864426D+00 -0.247043D+01
      2  -0.103637D+01 -0.249338D+01  0.242078D+01 -0.102582D+01 -0.410338D+01
      3   0.347078D+01 -0.111892D+02  0.801399D+01  0.150512D+02  0.187209D+01
                66            67            68            69            70 
      1  -0.193195D+01 -0.251282D+01 -0.199018D+01  0.378606D+01 -0.508533D+01
      2  -0.133986D+01 -0.554198D+01 -0.447835D+01  0.117761D+02 -0.962747D+01
      3   0.598481D+01  0.110392D+02 -0.802808D+01  0.721419D+01  0.618179D+01
                71            72            73            74            75 
      1   0.868099D+01  0.304525D+01  0.100146D+01  0.715076D+00  0.459323D+00
      2   0.127806D+02  0.527464D+01 -0.286858D+01 -0.307946D+00 -0.144045D+01
      3   0.690377D+01 -0.106323D+02 -0.749369D+00 -0.133662D+00 -0.896643D+00
                76            77            78            79            80 
      1  -0.174709D+00  0.306906D+01  0.211139D+01 -0.137703D+01  0.498001D+01
      2  -0.675558D+00 -0.173441D+01 -0.351619D+01 -0.265689D+01 -0.959030D+00
      3   0.476193D+00  0.199526D+01  0.134644D+01 -0.110231D+01  0.196091D+01
                81            82            83            84            85 
      1   0.994094D+01 -0.159407D+01 -0.197552D+01 -0.137975D+01 -0.152872D+01
      2  -0.138732D+02  0.556333D+01 -0.131887D+00  0.387083D+01  0.274495D+01
      3   0.199896D+01  0.395610D+01 -0.502238D+01  0.564082D+00  0.119828D+01
                86            87            88            89            90 
      1  -0.163419D+01 -0.134127D+01 -0.942479D+00 -0.287413D+00  0.514940D+00
      2   0.157777D+01  0.435405D+00  0.902200D+00 -0.658421D+00 -0.526851D+00
      3  -0.215275D+01 -0.437293D+00  0.495666D-01 -0.190043D+01  0.445142D+00
                91            92            93            94            95 
      1  -0.352274D+01  0.641364D+01  0.394098D+00  0.844759D+01  0.739492D+01
      2   0.127499D+00 -0.643768D+01  0.113823D+02 -0.940418D+01 -0.673554D+01
      3  -0.691035D+01  0.397741D+01  0.948126D+01  0.108900D+02  0.629611D+01
                96            97            98            99           100 
      1  -0.664313D+00  0.161244D+01  0.489160D+01 -0.387898D+01  0.113720D+01
      2  -0.888560D+00  0.761988D+01 -0.466426D+01  0.109562D+02  0.425354D+01
      3   0.988826D+00  0.102341D+02  0.159630D+01  0.293445D+01 -0.308344D+01
               101           102           103           104           105 
      1  -0.432667D+01 -0.397927D+01 -0.719734D+01 -0.209504D+01 -0.569101D+01
      2  -0.811344D+01  0.110360D+02 -0.890205D+01 -0.164820D+01  0.552135D+01
      3   0.608227D+01  0.698828D+01  0.143193D+02  0.339231D+01  0.684625D+01
               106           107           108           109           110 
      1  -0.498564D+01 -0.110919D+01  0.221495D+00 -0.659215D+01  0.203755D+00
      2   0.650801D+01  0.484732D+01 -0.836362D+01 -0.347707D+01 -0.341653D+00
      3   0.104882D+02  0.418838D+01 -0.210949D+01  0.331772D+01 -0.474546D+01
               111           112           113           114           115 
      1  -0.799186D+01 -0.338094D+00 -0.608482D+00 -0.998951D+01 -0.665014D+01
      2  -0.841035D+00  0.136250D+01 -0.183345D+01  0.105461D+02 -0.521965D+01
      3   0.263802D+01  0.132875D+01 -0.359919D+01 -0.328540D+00  0.378693D+01
               116           117           118           119           120 
      1  -0.232364D+01  0.603335D+01 -0.156158D+01 -0.677199D+00  0.209988D+01
      2   0.106818D+02 -0.145820D+01  0.341522D+01 -0.106572D+01  0.839739D+00
      3  -0.747254D+00 -0.388829D+01 -0.596862D+01 -0.800172D+00  0.231174D+01
               121           122           123           124           125 
      1   0.285082D+00  0.160510D+01 -0.274761D+01  0.149629D+01  0.920378D-01
      2  -0.112332D+01  0.961016D+00 -0.862833D+00 -0.282248D+01  0.221348D+00
      3   0.297003D+01  0.256634D-01 -0.111908D+01  0.302117D+01 -0.197843D+00
               126           127           128           129           130 
      1  -0.386984D+01 -0.881785D+00 -0.347895D+01 -0.154948D+01 -0.229143D+01
      2  -0.913455D+00  0.563861D+00  0.589440D+00  0.143266D+01  0.377612D+00
      3  -0.145849D+01  0.428975D+01  0.257340D+01  0.347975D+00  0.574970D+01
               131           132           133           134           135 
      1  -0.715563D+01 -0.611799D+01 -0.512626D+00 -0.406193D+01 -0.409420D+01
      2   0.112024D+01  0.112390D+01 -0.331244D+00  0.734961D+00 -0.147484D+00
      3   0.293087D+01  0.934562D+00  0.203736D+01  0.173947D+01 -0.192520D+00
               136           137           138           139           140 
      1   0.490040D+01 -0.200925D+01  0.565173D+01 -0.143517D+01  0.205203D+01
      2  -0.368795D+01  0.721216D+00 -0.983994D+00  0.768532D+00 -0.121630D+01
      3  -0.100865D+02  0.154488D+01 -0.491680D+01  0.262830D+01 -0.244114D+01
               141           142           143           144           145 
      1  -0.326583D+01  0.521800D+01 -0.211633D+01  0.961063D+01  0.715609D+00
      2   0.193390D+00 -0.454416D+01  0.112558D+01 -0.175245D+01  0.211166D+01
      3   0.277548D+01 -0.702624D+01  0.340684D+01 -0.563724D+01  0.193002D+01
               146           147           148           149           150 
      1  -0.544825D-01 -0.382358D+00 -0.325015D+00  0.164711D+01 -0.503000D+01
      2   0.212497D+00 -0.598167D-01  0.992203D-01  0.715874D+01 -0.753499D+01
      3   0.501797D+00 -0.136345D+01 -0.130106D+00  0.143876D+02 -0.761675D+01
               151           152           153           154           155 
      1   0.595283D+00 -0.170341D+01  0.439620D+01  0.206869D+01  0.130677D+01
      2   0.185458D-01 -0.787489D+01  0.826926D+01  0.251224D+01  0.826065D+00
      3  -0.780184D+00 -0.882509D+01  0.775086D+01 -0.130576D+02 -0.821780D+01
               156           157           158           159           160 
      1   0.952816D+00  0.117315D+01  0.135267D+01 -0.408158D+00  0.182068D+01
      2   0.550308D+01  0.150054D+01  0.132786D+01  0.213039D+01  0.310759D+01
      3  -0.292375D+01 -0.689946D+01 -0.748043D+01 -0.243292D+01 -0.333906D+01
               161           162           163           164           165 
      1   0.980173D+00  0.562975D+00 -0.195792D+01  0.115442D+01  0.195270D+01
      2  -0.367636D+00  0.218447D+01 -0.395073D+01  0.288136D+01  0.426385D+01
      3  -0.304774D+01 -0.132724D+01  0.277192D+00 -0.189977D+01 -0.720012D+00
               166           167           168           169           170 
      1   0.163202D+01 -0.160901D+01 -0.433671D+01  0.299111D+01 -0.163620D+01
      2   0.248825D+01 -0.437847D+01 -0.660181D+01  0.390190D+01 -0.709034D+01
      3  -0.125774D+01  0.629551D+01  0.324858D+01 -0.476752D+00  0.541468D+01
               171           172           173           174           175 
      1  -0.788650D+01  0.250211D+01  0.111386D+01  0.175569D+01 -0.342115D+00
      2  -0.148380D+02 -0.858830D+01  0.109762D+01 -0.701943D+01  0.157683D+01
      3   0.527344D+01 -0.317764D+01  0.471128D+00 -0.352101D+01  0.116602D+01
               176           177           178           179           180 
      1  -0.896953D+00 -0.582149D+00  0.132086D+01  0.229402D+01  0.482513D+01
      2  -0.272563D+01  0.329384D+01 -0.891513D+01  0.359358D+01 -0.167393D+02
      3  -0.253881D+01  0.299398D+01 -0.347863D+01  0.252822D+01 -0.546994D+01
               181           182           183           184           185 
      1  -0.262853D+01 -0.343507D+01 -0.125301D+01 -0.463052D+01 -0.913760D+01
      2   0.281414D+01  0.305301D+01  0.117086D+01  0.353266D+01  0.476651D+01
      3  -0.142092D+01 -0.443312D+01 -0.100648D+01 -0.300090D+01 -0.136620D+02
               186           187           188           189           190 
      1  -0.434120D+01 -0.111526D+01 -0.215363D+01 -0.285902D+01  0.412955D+01
      2   0.426260D+01  0.154553D+00  0.294506D+01  0.222140D+01  0.252195D+01
      3  -0.546969D+00 -0.810527D+00 -0.319152D+01 -0.210704D+01  0.814585D+01
               191           192           193           194           195 
      1  -0.376017D+01 -0.161458D+01 -0.356761D+01  0.291101D+01  0.376091D+00
      2  -0.601616D+00  0.328453D+01  0.182886D+00  0.713377D+00 -0.349788D+01
      3  -0.735887D+01 -0.335202D+01 -0.496818D+01  0.572807D+01  0.161971D+01
               196           197           198           199           200 
      1  -0.235419D+01  0.166554D+01  0.208930D+01 -0.190397D+01 -0.198034D+01
      2  -0.259774D+00 -0.223755D+00 -0.280389D+01  0.741759D+01  0.367534D+01
      3  -0.328070D+01  0.177280D+01  0.233817D+01  0.338260D+01  0.128148D+01
               201           202           203           204           205 
      1   0.493800D+00 -0.106029D+01 -0.259879D+01  0.797074D+00  0.143258D+01
      2  -0.594171D+01  0.389127D+01  0.454515D+01 -0.518263D+01 -0.746047D+01
      3  -0.216192D+01  0.238705D+01  0.370915D+01 -0.386524D+01 -0.298502D+01
               206           207           208           209           210 
      1   0.415861D+01 -0.792156D+00 -0.341734D+01  0.321398D+01  0.166655D+01
      2  -0.604235D+01  0.151743D+02 -0.557140D+01  0.347317D+01  0.383248D+01
      3  -0.375780D+01  0.471066D+01  0.464054D+01 -0.727323D+01 -0.387540D+00
               211           212           213           214           215 
      1   0.375070D+01 -0.356284D+01 -0.169691D+01  0.977568D+00  0.110448D+00
      2   0.368539D+01 -0.196043D+01 -0.423656D+01  0.777228D+00 -0.178995D+01
      3  -0.512757D+01  0.816457D+01 -0.806825D+00 -0.168739D+01  0.172794D+01
               216           217           218           219           220 
      1  -0.138341D+01  0.273390D+01  0.334789D+01  0.120373D+01  0.393010D+01
      2  -0.203916D+01 -0.720976D+00  0.622874D+00  0.143271D+01  0.454520D+00
      3   0.145895D+01 -0.418871D+01 -0.619235D+01 -0.298588D+01 -0.505257D+01
               221           222           223           224           225 
      1   0.740327D+01  0.698598D+00  0.220690D+01  0.320341D+01  0.174227D+01
      2   0.137590D+01  0.442358D+01 -0.185665D+00  0.153686D+01  0.366286D+01
      3  -0.119470D+02 -0.447059D+01 -0.309336D+01 -0.402525D+01 -0.361262D+01
               226           227           228           229           230 
      1  -0.167702D+01 -0.173936D+01  0.181343D+01 -0.469165D+00 -0.689147D+01
      2   0.435762D+01  0.227521D+01 -0.187516D+01  0.437982D+01  0.275038D+01
      3   0.421195D+00 -0.158118D+00 -0.153266D+00  0.220537D+01  0.269549D+01
               231           232           233           234           235 
      1   0.473242D+01  0.134892D+01  0.700509D+01 -0.698655D+01  0.257183D+01
      2  -0.510213D+01 -0.496607D+01 -0.350530D+01  0.635523D+01 -0.511471D+01
      3  -0.213046D+01 -0.796735D+00 -0.100421D+01  0.248343D+01  0.205560D+01
               236           237           238           239           240 
      1   0.355505D+01  0.849818D+00  0.261648D+01  0.524614D+01  0.766038D+00
      2  -0.140402D+01  0.163650D+01 -0.369167D+01 -0.654789D+00 -0.249325D+00
      3  -0.202926D+01  0.113213D+00  0.174437D+01 -0.248604D+01 -0.542714D+00
               241           242           243 
      1   0.113573D+01  0.252822D+01 -0.439679D+00
      2  -0.181446D+01 -0.108439D+01  0.451335D+00
      3   0.169085D+00 -0.971079D+00  0.464048D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.128086D+02  0.622458D+01 -0.138849D+01  0.125354D+02  0.588392D+00
      2  -0.832302D+01 -0.357302D+01 -0.246097D+01 -0.845296D+01  0.474104D+01
      3  -0.448560D+01 -0.265156D+01  0.384946D+01 -0.408242D+01 -0.532943D+01
      4   0.112285D+02  0.173145D+01  0.148033D+01  0.622159D+00 -0.610742D+01
      5  -0.136941D+01  0.402949D+01  0.850606D+01  0.657467D+01  0.848498D+01
      6  -0.127921D+01  0.165364D+01  0.516296D+01  0.365039D+01  0.693060D+01
                 6             7             8             9            10 
      1   0.360730D+01  0.274887D+01  0.623004D+01  0.742321D+01 -0.182581D+02
      2   0.332417D+00 -0.224244D+01  0.116354D+00 -0.155606D+01  0.172791D+01
      3  -0.393972D+01 -0.506434D+00 -0.634640D+01 -0.586715D+01  0.165302D+02
      4   0.469759D+01  0.472133D+01  0.688598D+01 -0.123643D+02 -0.236853D+02
      5  -0.661215D+01  0.555921D+01 -0.127655D+02 -0.165226D+01  0.784269D+01
      6  -0.188050D+01 -0.326580D+01 -0.379219D+01 -0.101189D+01  0.664757D+01
                11            12            13            14            15 
      1  -0.162719D+02  0.514458D+00 -0.175680D+02 -0.447034D+01  0.781605D+01
      2   0.126678D+02  0.282205D+01  0.114531D+02 -0.191398D+01  0.624391D+00
      3   0.360410D+01 -0.333651D+01  0.611483D+01  0.638432D+01 -0.844044D+01
      4  -0.115817D+02  0.251723D+01 -0.107223D+02  0.474821D+01 -0.466995D+01
      5   0.852757D+01  0.185143D+01  0.596890D+01 -0.720661D+01  0.777011D+01
      6   0.570694D+01 -0.131932D+01  0.681910D+00 -0.680681D+01  0.558380D+01
                16            17            18            19            20 
      1  -0.570923D+01  0.403660D+01  0.593842D+01 -0.180224D+02 -0.221610D+00
      2   0.340042D+01  0.531632D+00  0.139518D+02  0.115324D+02 -0.286228D+01
      3   0.230882D+01 -0.456823D+01 -0.198902D+02  0.649006D+01  0.308389D+01
      4  -0.255931D+01 -0.614274D+01  0.810762D+01 -0.163187D+01 -0.260541D+01
      5   0.159093D+01  0.101685D+02  0.844817D+01  0.974478D+00 -0.136874D+01
      6   0.252258D+01  0.829549D+01 -0.761216D+00  0.124909D+01 -0.248304D+01
                21            22            23            24            25 
      1  -0.854183D+00 -0.233675D+01  0.173157D+02  0.675958D+01 -0.270873D+01
      2   0.628769D+00  0.551440D+00 -0.248068D+02 -0.169529D+01  0.329707D+01
      3   0.225414D+00  0.178531D+01  0.749113D+01 -0.506429D+01 -0.588347D+00
      4   0.217478D+00 -0.607876D+01  0.315785D+01 -0.139593D+00 -0.499887D+01
      5  -0.589534D+01 -0.734967D+01 -0.362124D+01  0.206010D+01 -0.140533D+01
      6  -0.663268D+00 -0.409329D+00 -0.173437D+02 -0.105975D+02 -0.435827D+00
                26            27            28            29            30 
      1   0.821207D+01  0.282505D+01  0.193641D+01 -0.113538D+01 -0.905830D+00
      2  -0.135659D+02 -0.580537D+01  0.280631D+01  0.167782D+01  0.232339D+00
      3   0.535386D+01  0.298032D+01 -0.474272D+01 -0.542449D+00  0.673492D+00
      4  -0.386682D+00  0.239624D+01  0.658872D+00  0.129805D+02  0.353233D+01
      5   0.158172D+01 -0.559058D+00 -0.169637D-01  0.318840D+01  0.722347D+01
      6  -0.345723D+01 -0.107590D+02  0.462134D+01  0.697533D+00  0.135264D+01
                31            32            33            34            35 
      1   0.945259D+00 -0.418071D+02 -0.147710D+02  0.513759D+00 -0.167558D+02
      2  -0.327378D+00  0.620054D+02  0.117273D+02 -0.821888D+00  0.126324D+02
      3  -0.617881D+00 -0.201983D+02  0.304370D+01  0.308130D+00  0.412338D+01
      4   0.138859D+02 -0.126952D+00 -0.633978D+00  0.426402D+01 -0.786088D+00
      5   0.402452D+01  0.160452D+01  0.141630D+01  0.786252D+01  0.217127D+01
      6  -0.505471D-01  0.286467D+02  0.228230D+02  0.970099D+00  0.249768D+02
                36            37            38            39            40 
      1  -0.180677D+02  0.106834D+02  0.212660D+01  0.101071D+01 -0.444249D+01
      2   0.758945D+01 -0.351211D+01 -0.152881D+01  0.849995D+00  0.531602D+01
      3   0.104783D+02 -0.717131D+01 -0.597788D+00 -0.186071D+01 -0.873527D+00
      4  -0.216702D+00 -0.322697D+01  0.750421D+01  0.105031D+02  0.498969D+01
      5   0.257836D+01 -0.418231D+01  0.915546D+01 -0.855615D+01  0.142959D+02
      6   0.228338D+02  0.414328D+01 -0.672947D+00 -0.685352D+01  0.143849D+01
                41            42            43            44            45 
      1   0.870946D+01  0.111799D+02 -0.826774D+00  0.122733D+02 -0.132768D+02
      2  -0.476681D+01 -0.103080D+02 -0.447520D+00 -0.938688D+01  0.925327D+01
      3  -0.394266D+01 -0.871895D+00  0.127429D+01 -0.288639D+01  0.402350D+01
      4  -0.721125D+00  0.471537D+01  0.143082D+02  0.146491D+01 -0.393349D+01
      5   0.442193D+01 -0.823480D+01 -0.163990D+02 -0.188372D+01 -0.877377D+00
      6   0.233648D-01 -0.215357D+01 -0.447332D+01 -0.200094D+01  0.576382D+01
                46            47            48            49            50 
      1  -0.963113D+00 -0.618975D+01 -0.862331D+01 -0.815141D+01 -0.487820D+01
      2   0.450740D+01  0.260186D+01  0.121395D+02  0.285615D+01  0.454391D+01
      3  -0.354429D+01  0.358789D+01 -0.351623D+01  0.529526D+01  0.334287D+00
      4   0.521717D+01 -0.525551D+01 -0.681499D+01 -0.617828D+01  0.510219D+01
      5   0.225432D+01 -0.193147D+01 -0.677536D+01 -0.298614D+01  0.406456D+01
      6  -0.393450D+01  0.151092D+02  0.582345D+01  0.123296D+02 -0.232141D+01
                51            52            53            54            55 
      1  -0.201177D+01 -0.850164D+01 -0.414488D+01  0.448517D+01 -0.694095D+00
      2   0.444680D+01  0.115068D+02  0.693538D+01 -0.550341D+01  0.196582D+01
      3  -0.243503D+01 -0.300512D+01 -0.279051D+01  0.101824D+01 -0.127173D+01
      4   0.816685D+01 -0.105282D+02  0.968178D+01  0.383735D+01  0.628018D+00
      5   0.512734D+01 -0.401301D+01  0.518533D+01  0.171096D+01 -0.161862D+01
      6  -0.618815D+01  0.633003D+01 -0.747619D+01 -0.432460D+01  0.374815D+01
                56            57            58            59            60 
      1   0.895388D+01  0.106174D+02  0.108345D+02  0.113017D+02  0.291106D+01
      2  -0.179844D+02 -0.154911D+02 -0.161622D+02 -0.236082D+02 -0.924220D+01
      3   0.903053D+01  0.487367D+01  0.532770D+01  0.123065D+02  0.633113D+01
      4  -0.507965D+01  0.335821D+01 -0.248562D+01 -0.116272D+02 -0.923665D+01
      5  -0.118442D+01 -0.341422D+01 -0.235412D+01 -0.294654D+01  0.191516D+01
      6  -0.157343D+02  0.982172D+01 -0.108572D+02 -0.788264D+01 -0.111256D+01
                61            62            63            64            65 
      1   0.113288D+02  0.552819D+01  0.166734D+01 -0.226804D+02 -0.216120D+02
      2  -0.158119D+02 -0.139943D+02 -0.184401D+01  0.189992D+02  0.118304D+02
      3   0.448309D+01  0.846612D+01  0.176671D+00  0.368119D+01  0.978159D+01
      4   0.510493D+01 -0.133864D+02  0.586010D+01 -0.212696D+02  0.375918D+01
      5  -0.389455D+01  0.195998D+01 -0.393311D+01 -0.710436D+01 -0.105684D+02
      6   0.100907D+02 -0.507930D+01  0.424103D+01 -0.275001D+01  0.387394D+01
                66            67            68            69            70 
      1  -0.887818D+01 -0.298119D+02  0.469300D+01 -0.153390D+02 -0.813032D+01
      2   0.734845D+01  0.170160D+02 -0.537068D+01  0.114096D+02  0.598750D+01
      3   0.152973D+01  0.127959D+02  0.677680D+00  0.392936D+01  0.214282D+01
      4  -0.795041D+01 -0.955692D+00  0.988826D+01 -0.491614D+01 -0.949861D+01
      5  -0.781174D+01 -0.133294D+02 -0.780027D+01  0.204394D+02 -0.127574D+02
      6   0.186344D+01  0.198767D+01  0.715662D+01 -0.143627D+02  0.764878D+01
                71            72            73            74            75 
      1  -0.152522D+02  0.256592D+00  0.157733D+01  0.200781D+01 -0.364831D+01
      2   0.116606D+02 -0.658658D+01 -0.408370D+01 -0.204278D+01  0.111461D+01
      3   0.359153D+01  0.632999D+01  0.250637D+01  0.349646D-01  0.253370D+01
      4  -0.440982D+01  0.216698D+02  0.225743D+01  0.141090D+01 -0.126435D+01
      5   0.219261D+02  0.109539D+02 -0.344176D+01 -0.300594D+00  0.529101D+01
      6  -0.159049D+02 -0.291491D+01 -0.135741D+01  0.227494D+00 -0.617894D+00
                76            77            78            79            80 
      1   0.763100D+00 -0.181776D+01 -0.172080D+01 -0.173616D+01  0.303477D+00
      2   0.494786D+00 -0.188616D+01 -0.599357D+01  0.509623D+01 -0.404783D+01
      3  -0.125789D+01  0.370393D+01  0.771437D+01 -0.336007D+01  0.374435D+01
      4   0.248180D+01 -0.225976D+01 -0.212370D+01 -0.170352D+01 -0.246618D+01
      5   0.157109D+01 -0.208422D+01 -0.547207D+01  0.876204D+01 -0.156000D+01
      6  -0.761229D+00  0.172450D+01  0.391975D+01  0.121601D+01  0.482912D+01
                81            82            83            84            85 
      1  -0.163496D+02  0.409120D+02  0.108985D+02 -0.336069D+01  0.894052D+01
      2  -0.231405D+02 -0.165073D+02 -0.144903D+01  0.291648D+01  0.377156D+00
      3   0.394900D+02 -0.244047D+02 -0.944944D+01  0.444213D+00 -0.931768D+01
      4   0.149010D+00  0.332936D+02  0.195216D+02 -0.538641D+01  0.182612D+02
      5  -0.217604D+02 -0.163885D+02 -0.748406D+01  0.885962D+01 -0.527722D+01
      6  -0.919040D+01 -0.779838D+01 -0.580424D+01  0.451180D+01 -0.414762D+01
                86            87            88            89            90 
      1   0.493455D+01 -0.139000D+01  0.334803D+01 -0.212640D+00  0.287998D+01
      2   0.391045D+01  0.215242D+00  0.429699D+00  0.106783D+01 -0.411688D+01
      3  -0.884500D+01  0.117476D+01 -0.377773D+01 -0.855185D+00  0.123691D+01
      4   0.145238D+02 -0.228123D+01  0.822948D+00  0.199016D+01  0.390614D+01
      5  -0.303982D+01  0.237385D+01  0.696151D+01  0.197235D+01 -0.340730D+01
      6  -0.383641D+01  0.278777D+01  0.339361D+01  0.171400D+01 -0.118476D+01
                91            92            93            94            95 
      1  -0.169237D+02  0.837776D+01  0.167282D+02  0.148717D+02 -0.115770D+02
      2   0.117287D+02 -0.150648D+02 -0.550902D+01 -0.234015D+02 -0.430599D+01
      3   0.519495D+01  0.668705D+01 -0.112192D+02  0.852979D+01  0.158830D+02
      4   0.863958D+01 -0.909915D+01 -0.117412D+02 -0.120037D+02 -0.161861D+02
      5   0.136244D+02 -0.171463D+02  0.490932D+01 -0.244295D+02 -0.183785D+01
      6  -0.672087D+01  0.558216D-01  0.125598D+02 -0.743443D+00  0.437726D+00
                96            97            98            99           100 
      1  -0.171633D+02  0.138197D+02 -0.143040D+02  0.190119D+02 -0.140949D+02
      2   0.778043D+01 -0.447477D+01  0.329573D+01 -0.463559D+01  0.839880D+00
      3   0.938286D+01 -0.934488D+01  0.110083D+02 -0.143764D+02  0.132550D+02
      4  -0.886177D+01 -0.161382D+02 -0.105096D+02  0.703144D+01  0.113793D+02
      5   0.118335D+02  0.961014D+01  0.645741D+01 -0.164616D+01  0.406588D-01
      6   0.342480D+01  0.128821D+02  0.202168D+01  0.189516D+01 -0.242507D+00
               101           102           103           104           105 
      1   0.124893D+02 -0.362102D+01  0.147353D+02 -0.173004D+02 -0.158344D+02
      2   0.183836D+01 -0.492846D+01  0.460536D+00  0.103277D+02  0.568398D+01
      3  -0.143277D+02  0.854948D+01 -0.151958D+02  0.697271D+01  0.101504D+02
      4  -0.193467D+02 -0.112781D+02 -0.250746D+02 -0.284589D+01 -0.786698D+01
      5  -0.905237D+01  0.120283D+02 -0.119416D+02 -0.130437D+02 -0.430275D+01
      6  -0.613304D+01 -0.640815D+01 -0.986451D+01 -0.407001D+01 -0.582128D+01
               106           107           108           109           110 
      1   0.122346D+01 -0.184515D+02  0.191989D+02 -0.231661D+00  0.357019D+01
      2  -0.688609D+01  0.753654D+01 -0.720636D+01 -0.430093D+01  0.498995D+01
      3   0.566263D+01  0.109150D+02 -0.119926D+02  0.453259D+01 -0.856015D+01
      4  -0.168456D+02 -0.354507D+01 -0.260694D+01 -0.677720D+01 -0.563315D+01
      5   0.160915D+02 -0.580615D+01  0.408321D+01 -0.331792D+01 -0.132868D+02
      6  -0.934413D+01 -0.344209D+01  0.108648D+01 -0.746610D+01 -0.105862D+02
               111           112           113           114           115 
      1   0.483491D+01  0.115289D+01  0.590724D+00 -0.986949D+01  0.510465D+01
      2  -0.536795D+01  0.620782D+01  0.220530D+01 -0.568803D+01 -0.621354D+01
      3   0.533043D+00 -0.736071D+01 -0.279602D+01  0.155575D+02  0.110889D+01
      4  -0.805120D+01 -0.791196D+01 -0.253414D+01 -0.640378D+01 -0.695559D+01
      5  -0.275082D+01 -0.134237D+02 -0.792971D+01 -0.553614D+01 -0.422421D+01
      6  -0.117005D+02 -0.938729D+01 -0.427755D+01 -0.572990D+01 -0.786859D+01
               116           117           118           119           120 
      1  -0.993115D+01 -0.345251D+01  0.351487D+01  0.236382D+01  0.160272D+01
      2  -0.528397D+01  0.475277D+01 -0.132599D+01 -0.469464D+01 -0.945217D-01
      3   0.152151D+02 -0.130026D+01 -0.218888D+01  0.233082D+01 -0.150820D+01
      4  -0.497376D+01  0.346213D+01 -0.150186D+02  0.126427D+02  0.925710D+01
      5  -0.167340D+01 -0.922823D+00 -0.116247D+02  0.726239D+01  0.105287D+02
      6  -0.320780D+01  0.702700D+01  0.103706D+02 -0.931165D+01 -0.911825D+01
               121           122           123           124           125 
      1   0.387443D+01 -0.993135D+01 -0.589749D+01  0.260996D+01 -0.619468D+01
      2  -0.596599D+01  0.140037D+02  0.462938D+01 -0.445211D+00  0.297568D+01
      3   0.209156D+01 -0.407232D+01  0.126811D+01 -0.216475D+01  0.321900D+01
      4   0.110303D+02 -0.137981D+02 -0.802697D+01  0.812061D+01 -0.802144D+01
      5   0.605530D+01 -0.739145D+01 -0.595754D+01  0.958384D+01 -0.687901D+01
      6  -0.928292D+01  0.151078D+02  0.127755D+02 -0.956801D+01  0.137478D+02
               126           127           128           129           130 
      1  -0.861635D+01 -0.222426D+01 -0.719269D+01 -0.134254D+01 -0.556074D+01
      2  -0.107770D+00  0.890952D+01  0.178591D+02  0.335368D+01  0.130639D+02
      3   0.872412D+01 -0.668525D+01 -0.106664D+02 -0.201113D+01 -0.750312D+01
      4  -0.927435D+01  0.958060D+01  0.155491D+02  0.170861D+01  0.111470D+02
      5  -0.102627D+02  0.543647D+00  0.819265D+00  0.285453D+01  0.156292D+00
      6   0.162812D+02  0.120597D+01  0.300676D+01  0.179774D+01  0.234389D+01
               131           132           133           134           135 
      1  -0.330159D+02 -0.429431D+01 -0.246273D+01 -0.968733D+01 -0.589123D+01
      2   0.639395D+02  0.843431D+01  0.478296D+01  0.181915D+02  0.861751D+01
      3  -0.309236D+02 -0.414000D+01 -0.232023D+01 -0.850417D+01 -0.272628D+01
      4   0.190671D+02  0.330065D+01  0.328367D+01  0.629274D+01  0.287233D+01
      5   0.244865D+01  0.129526D+01  0.250712D+01  0.228350D+01  0.168617D+01
      6   0.752717D+01  0.841973D+01  0.168733D+01  0.119159D+02  0.638631D+01
               136           137           138           139           140 
      1  -0.536159D+00  0.565862D+01 -0.466655D+01  0.278094D+01 -0.100507D+02
      2   0.152752D+01 -0.773385D+01  0.461713D+01 -0.416074D+01  0.147285D+02
      3  -0.991365D+00  0.207524D+01  0.494164D-01  0.137980D+01 -0.467781D+01
      4  -0.113366D+02  0.850999D+01 -0.714688D+01  0.603694D+01 -0.520753D+01
      5   0.724293D+01 -0.323930D+01  0.595967D+01 -0.183093D+01  0.375904D+01
      6  -0.893676D+01  0.948728D+01 -0.102774D+02  0.668429D+01 -0.101860D+02
               141           142           143           144           145 
      1   0.584838D+01 -0.472203D+01  0.923524D+01 -0.105431D+02  0.665252D+00
      2  -0.581065D+01  0.318829D+01 -0.823119D+01  0.340610D+01  0.285342D+00
      3  -0.377249D-01  0.153374D+01 -0.100405D+01  0.713697D+01 -0.950594D+00
      4   0.509091D+01 -0.763176D+01  0.618214D+01 -0.713615D+01 -0.114799D+01
      5  -0.237240D+01  0.705923D+01 -0.319475D+01  0.561448D+01  0.357670D+01
      6   0.101101D+02 -0.986802D+01  0.151499D+02 -0.203024D+02 -0.264707D+01
               146           147           148           149           150 
      1  -0.337727D+01  0.531574D+01 -0.253737D+01 -0.111933D+02  0.809484D+01
      2   0.211116D+01 -0.260931D+01 -0.160531D+01  0.204133D+02 -0.882840D+01
      3   0.126611D+01 -0.270643D+01  0.414268D+01 -0.921997D+01  0.733559D+00
      4   0.345911D+01 -0.201774D+01  0.115026D+02 -0.262930D+02  0.123474D+02
      5  -0.946967D+00  0.215608D+01 -0.359195D+01  0.135699D+02 -0.136937D+02
      6  -0.996287D+00  0.703074D+00  0.282388D+01 -0.162112D+02  0.139006D+02
               151           152           153           154           155 
      1   0.631899D+01  0.802225D+01 -0.759831D+01  0.644673D+02  0.122434D+02
      2  -0.266802D+01 -0.901032D+01  0.389461D+01 -0.378007D+02 -0.821406D+01
      3  -0.365097D+01  0.988074D+00  0.370370D+01 -0.266665D+02 -0.402938D+01
      4  -0.690832D+01  0.151812D+02 -0.134630D+02  0.384543D+01  0.882631D+01
      5   0.812135D+01 -0.152606D+02  0.149268D+02  0.150686D+02  0.323595D+01
      6  -0.388036D+01  0.155295D+02 -0.143123D+02 -0.877363D+00  0.429455D+00
               156           157           158           159           160 
      1   0.104926D+02  0.285913D+02  0.979809D+01  0.513703D+01  0.133162D+02
      2  -0.751869D+01 -0.172091D+02 -0.594514D+01 -0.454757D+01 -0.954608D+01
      3  -0.297390D+01 -0.113821D+02 -0.385295D+01 -0.589459D+00 -0.377009D+01
      4   0.121867D+01  0.940429D+01  0.101431D+02  0.303355D+01  0.130724D+01
      5   0.115004D+02  0.728535D+01  0.431802D+01  0.455919D+01  0.145974D+02
      6  -0.130312D+01  0.485974D+00  0.403457D+00  0.207419D+01 -0.160070D+01
               161           162           163           164           165 
      1   0.348636D+01  0.843860D+01  0.107455D+02 -0.230049D+01 -0.572588D+01
      2  -0.336756D+01 -0.627189D+01 -0.545760D+01 -0.334352D+00  0.206422D+01
      3  -0.118805D+00 -0.216671D+01 -0.528787D+01  0.263484D+01  0.366167D+01
      4   0.358298D+01 -0.770170D+00 -0.610375D+01  0.648008D+01  0.743103D+01
      5   0.673507D+00  0.654025D+01 -0.803319D+01  0.620347D+01  0.954031D+01
      6   0.305361D+01 -0.521935D-01  0.459333D+01 -0.289914D+01 -0.353962D+01
               166           167           168           169           170 
      1  -0.221293D+01 -0.254195D+00  0.169939D+01 -0.123868D+02  0.352981D+01
      2  -0.205335D+01  0.636373D+01  0.182338D+01  0.562397D+01  0.141178D+01
      3   0.426628D+01 -0.610954D+01 -0.352276D+01  0.676286D+01 -0.494159D+01
      4   0.113617D+02 -0.156874D+02 -0.927582D+01  0.142111D+02 -0.140497D+02
      5   0.713388D+01 -0.839505D+01 -0.119689D+02  0.160046D+02 -0.143963D+02
      6  -0.407808D+01  0.658176D+01  0.993970D+01 -0.728248D+01  0.111384D+02
               171           172           173           174           175 
      1   0.159460D+01 -0.609203D+01  0.195549D+01 -0.112422D+02  0.379787D+00
      2  -0.328718D+01 -0.133164D+00 -0.257895D+00  0.554514D-01  0.128566D+01
      3   0.169258D+01  0.622519D+01 -0.169759D+01  0.111867D+02 -0.166545D+01
      4  -0.147129D+02 -0.311198D+01 -0.340110D+00  0.610318D+00  0.241996D+01
      5  -0.287999D+02  0.151107D+01  0.265908D+01 -0.191193D+01  0.160913D+01
      6   0.156697D+02 -0.153089D+01  0.395448D+01 -0.614540D+01  0.171650D+01
               176           177           178           179           180 
      1  -0.493978D+01  0.803380D+01 -0.987316D+01  0.762293D+01 -0.245482D+02
      2   0.236039D+01 -0.216831D+01  0.192028D+01 -0.111426D+01 -0.833954D+01
      3   0.257938D+01 -0.586548D+01  0.795288D+01 -0.650868D+01  0.328878D+02
      4   0.349479D+01 -0.219585D+01 -0.135012D+01 -0.265338D+01  0.230804D+01
      5  -0.252445D+01  0.194154D+01  0.363016D+01  0.396598D+01 -0.165531D+02
      6  -0.580439D+01  0.862231D+01 -0.281919D+01  0.897468D+01 -0.154439D+02
               181           182           183           184           185 
      1   0.121326D+02  0.649184D+01 -0.562801D+00  0.817148D+01  0.182460D+01
      2  -0.147041D+01  0.362245D+01  0.105916D+01  0.559927D+01  0.200319D+02
      3  -0.106621D+02 -0.101143D+02 -0.496360D+00 -0.137708D+02 -0.218565D+02
      4   0.131811D+02  0.159150D+02  0.226620D+01  0.219005D+02  0.343702D+02
      5  -0.309065D+01  0.133913D+00  0.275353D+01 -0.140044D+01 -0.168854D+01
      6  -0.139072D+01 -0.278271D+01  0.637030D-01 -0.441134D+01 -0.890725D+01
               186           187           188           189           190 
      1   0.261661D+01  0.417260D+01  0.351062D+01 -0.925898D+00  0.467300D+02
      2   0.181531D+01  0.859662D-01  0.340473D+01  0.227583D+01 -0.313209D+02
      3  -0.443192D+01 -0.425856D+01 -0.691535D+01 -0.134993D+01 -0.154091D+02
      4   0.135077D+01  0.745374D+01  0.812412D+01  0.373605D+01 -0.561634D+01
      5   0.549005D+01  0.174800D+01  0.319624D+01  0.397591D+01 -0.293332D+02
      6   0.463999D+01  0.144733D+00  0.256571D+01  0.136078D+01  0.336302D+01
               191           192           193           194           195 
      1  -0.103332D+02 -0.131839D+02 -0.204102D+02  0.939197D+01  0.608818D+01
      2   0.850878D+01  0.122060D+02  0.156683D+02 -0.500652D+01 -0.706455D+01
      3   0.182447D+01  0.977906D+00  0.474199D+01 -0.438545D+01  0.976376D+00
      4   0.961737D+01  0.230622D+01  0.108629D+02 -0.827113D+01 -0.274038D+01
      5   0.701426D+01  0.168116D+02  0.157645D+02 -0.676060D+01 -0.115244D+02
      6  -0.431012D+01 -0.152270D+01 -0.458209D+01  0.517057D+01  0.238721D+01
               196           197           198           199           200 
      1  -0.882438D+01  0.279969D+01  0.488821D+01 -0.646063D+01 -0.520429D+01
      2   0.994612D+01 -0.293569D+01 -0.860870D+01  0.223583D+01  0.156720D+01
      3  -0.112174D+01  0.136002D+00  0.372049D+01  0.422480D+01  0.363709D+01
      4   0.306708D+01 -0.114909D+01 -0.300155D+01 -0.706263D+00  0.140025D+01
      5   0.147256D+02 -0.511013D+01 -0.122121D+02 -0.257439D+01  0.444181D+00
      6  -0.234504D+01  0.216454D+01  0.816466D+00 -0.211821D+01 -0.198108D+01
               201           202           203           204           205 
      1   0.826299D+01 -0.578252D+01 -0.475098D+01  0.762654D+01  0.754881D+01
      2   0.201529D+01  0.258691D+01  0.127831D+01  0.346567D+00 -0.135296D+01
      3  -0.102783D+02  0.319561D+01  0.347267D+01 -0.797310D+01 -0.619585D+01
      4   0.145709D+01  0.365973D+01 -0.338629D+01  0.472879D+01  0.785717D+00
      5  -0.276892D+01 -0.985364D+00  0.439982D+01 -0.501750D+01  0.309460D+01
      6   0.255942D+01 -0.634592D+00 -0.524412D+01  0.784132D+01  0.259871D+01
               206           207           208           209           210 
      1   0.900157D+01 -0.212546D+02  0.421976D+02 -0.162051D+02  0.212508D+00
      2  -0.694005D+00 -0.872554D+01 -0.172540D+02  0.364928D+01 -0.137046D+01
      3  -0.830756D+01  0.299802D+02 -0.249436D+02  0.125558D+02  0.115795D+01
      4   0.436504D+01 -0.494611D+01 -0.242511D+02  0.186757D+02  0.176435D+00
      5  -0.416031D+01  0.155860D+02  0.956057D+01 -0.311391D+01  0.668245D+01
      6   0.778204D+01 -0.100404D+02 -0.518659D+01  0.488289D+01 -0.125915D+01
               211           212           213           214           215 
      1  -0.213613D+02  0.127105D+02  0.152318D+01 -0.922946D+01  0.455805D+01
      2   0.526554D+01  0.484778D+00  0.135806D+01  0.321890D+01  0.957333D-01
      3   0.160957D+02 -0.131953D+02 -0.288123D+01  0.601056D+01 -0.465378D+01
      4   0.240707D+02 -0.212907D+02  0.138878D+01  0.562629D+01 -0.384482D+01
      5  -0.496467D+01  0.473268D+01 -0.567254D+01  0.421692D+01 -0.307616D+01
      6   0.603738D+01 -0.485589D+01  0.350012D+01 -0.619184D+00  0.194782D+01
               216           217           218           219           220 
      1   0.233640D+01  0.176686D+02  0.680212D+01  0.609633D+01  0.125710D+02
      2  -0.747165D+00 -0.102174D+02 -0.489404D+01 -0.500904D+01 -0.834675D+01
      3  -0.158924D+01 -0.745119D+01 -0.190808D+01 -0.108728D+01 -0.422427D+01
      4  -0.425949D+01  0.100347D+02  0.123978D+02  0.586935D+01  0.173468D+02
      5  -0.257303D+01  0.128154D+02  0.809606D+01  0.842240D+01  0.144040D+02
      6  -0.125774D+00  0.499048D+01  0.532562D+01  0.397619D+01  0.821446D+01
               221           222           223           224           225 
      1   0.726120D+01  0.416032D+01  0.405245D+01  0.262992D+01 -0.639975D-01
      2  -0.244032D+01 -0.602147D+01 -0.510257D+01 -0.398600D+01 -0.530252D+01
      3  -0.482089D+01  0.186115D+01  0.105012D+01  0.135608D+01  0.536652D+01
      4   0.211455D+02  0.889035D+01  0.641725D+01  0.601460D+01  0.722397D+01
      5   0.115831D+02  0.138905D+02  0.926571D+01  0.871715D+01  0.110047D+02
      6   0.125527D+02  0.819107D+01  0.499847D+01  0.652498D+01  0.542024D+01
               226           227           228           229           230 
      1  -0.113414D+01 -0.528472D+00  0.190191D+01 -0.121915D+01 -0.458810D+01
      2  -0.243374D+01 -0.140484D+01  0.198583D+01 -0.212356D+00 -0.345806D+01
      3   0.356788D+01  0.193331D+01 -0.388774D+01  0.143151D+01  0.804616D+01
      4   0.398708D+00  0.206954D+01  0.202354D+00  0.275944D+01 -0.244187D+01
      5  -0.132672D+01 -0.122868D+01  0.526202D+01 -0.234629D+01  0.251414D+01
      6  -0.134158D+01 -0.701794D-01  0.931888D+00  0.140716D+00 -0.852740D+01
               231           232           233           234           235 
      1   0.809922D+01  0.995701D+00  0.588708D+01 -0.164603D+02  0.818558D+01
      2   0.757018D+01  0.862778D+00  0.550798D+01 -0.175638D+02 -0.587957D+01
      3  -0.156694D+02 -0.185848D+01 -0.113951D+02  0.340241D+02 -0.230601D+01
      4   0.293523D+01 -0.417139D-01  0.157128D+01 -0.208509D+01  0.138596D+02
      5  -0.344316D+01  0.583531D+01 -0.117417D+01  0.593970D+01  0.180035D+02
      6   0.101435D+02  0.159524D+01  0.811643D+01 -0.722030D+01  0.106453D+02
               236           237           238           239           240 
      1   0.833835D+00 -0.716092D-01  0.343365D-01 -0.530645D+01 -0.348755D+01
      2  -0.109815D+01 -0.480695D+01  0.120774D+00  0.569444D+01  0.326116D+00
      3   0.264314D+00  0.487856D+01 -0.155111D+00 -0.387993D+00  0.316143D+01
      4   0.116331D+02  0.840591D+01  0.120992D+02  0.134630D+02  0.836282D+01
      5   0.109490D+02  0.146828D+02  0.113674D+02  0.103687D+02  0.969567D+01
      6   0.935384D+01  0.960046D+01  0.103113D+02  0.148784D+02  0.127010D+02
               241           242           243 
      1  -0.174799D+01 -0.251067D+01 -0.452201D+01
      2  -0.309151D+01 -0.323660D+00 -0.501870D+01
      3   0.483950D+01  0.283433D+01  0.954071D+01
      4   0.566561D+01  0.498793D+01  0.621008D+01
      5   0.102978D+02  0.700044D+01  0.117470D+02
      6   0.761146D+01  0.905484D+01  0.972871D+01
 Leave Link  716 at Thu Jul 22 19:56:38 2021, MaxMem= 17179869184 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.124432D+03  0.319251D+00 -0.363690D+00
      2   0.319251D+00  0.115143D+03  0.866560D+00
      3  -0.363690D+00  0.866560D+00  0.105939D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.166463D+01  0.802902D+01 -0.129320D+02
      2  -0.753934D+01 -0.349194D+00 -0.355419D+01
      3   0.169925D+02 -0.366158D+01 -0.208537D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.810557D+00 -0.179321D+02  0.105777D+01
      2   0.767616D+01  0.292395D+02 -0.237331D+02
      3  -0.686560D+01 -0.113073D+02  0.226753D+02
      4   0.100268D+02  0.967109D+01  0.268159D+01
      5   0.135218D+02  0.204471D+01 -0.121829D+02
      6   0.205012D+01 -0.913996D+01  0.146942D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.356755D+01  0.333249D+01  0.633467D+00  0.363137D+01 -0.766847D+00
      2   0.333249D+01 -0.656417D+00  0.118188D+01 -0.766847D+00 -0.436142D+01
      3   0.633467D+00  0.118188D+01  0.187365D+01  0.148841D+01  0.129111D+01
                 6             7             8             9            10 
      1   0.148841D+01  0.189983D+01  0.229481D+01  0.135035D+01 -0.414918D+01
      2   0.129111D+01  0.229481D+01  0.216594D+01 -0.381531D+01 -0.449015D+01
      3  -0.357916D+01  0.135035D+01 -0.381531D+01 -0.163006D+01 -0.238059D+00
                11            12            13            14            15 
      1  -0.449015D+01 -0.238059D+00 -0.392135D+01  0.597481D+00  0.412835D+00
      2  -0.346024D+00  0.611218D+00  0.597481D+00  0.234340D+01 -0.182735D+01
      3   0.611218D+00  0.633387D+00  0.412835D+00 -0.182735D+01  0.270745D+01
                16            17            18            19            20 
      1  -0.181706D+01 -0.896889D-01 -0.543455D+00 -0.467354D+00 -0.149327D+01
      2  -0.896889D-01 -0.317530D+01  0.277129D+01 -0.149327D+01  0.228093D+01
      3  -0.543455D+00  0.277129D+01  0.404799D+01 -0.821080D+00  0.485344D+00
                21            22            23            24            25 
      1  -0.821080D+00 -0.457895D+01  0.183330D+01  0.303054D+00 -0.229660D+01
      2   0.485344D+00  0.183330D+01  0.452887D+01  0.193924D+01  0.515160D+00
      3  -0.586696D+00  0.303054D+00  0.193924D+01  0.724702D+00 -0.925694D+00
                26            27            28            29            30 
      1   0.515160D+00 -0.925694D+00 -0.572401D-01 -0.232361D+01 -0.104618D+01
      2   0.236389D+01  0.158450D+01 -0.232361D+01 -0.310654D+00 -0.125507D+00
      3   0.158450D+01  0.890782D+00 -0.104618D+01 -0.125507D+00 -0.105246D+00
                31            32            33            34            35 
      1  -0.617084D+00 -0.414329D+00 -0.622352D-01 -0.405132D+00 -0.286047D+00
      2  -0.414329D+00 -0.117823D+02 -0.356621D+01 -0.286047D+00 -0.358013D+01
      3  -0.622352D-01 -0.356621D+01 -0.229923D+01  0.120777D+00 -0.383623D+01
                36            37            38            39            40 
      1   0.120777D+00 -0.283523D+01  0.832630D+00  0.455826D+00  0.231597D+01
      2  -0.383623D+01  0.832630D+00 -0.220443D+01 -0.265655D+01 -0.358164D+01
      3  -0.383267D+01  0.455826D+00 -0.265655D+01  0.259428D+01 -0.409560D+01
                41            42            43            44            45 
      1  -0.358164D+01 -0.409560D+01  0.897041D+00 -0.379379D+01  0.354329D+01
      2  -0.144597D+01 -0.109435D+01 -0.379379D+01 -0.180035D+01  0.183892D+00
      3  -0.109435D+01  0.100271D+01  0.354329D+01  0.183892D+00 -0.431133D+00
                46            47            48            49            50 
      1   0.102892D+01  0.520344D+00 -0.178009D+01  0.514407D+00  0.302399D+01
      2   0.520344D+00  0.207833D+01  0.407389D+01  0.302399D+01  0.799936D+00
      3  -0.178009D+01  0.407389D+01 -0.544642D+00  0.472340D+01  0.115073D+00
                51            52            53            54            55 
      1   0.472340D+01 -0.140720D+01  0.465509D+01 -0.867271D-01  0.153126D+00
      2   0.115073D+00  0.465509D+01  0.921104D+00 -0.201332D+01  0.388138D+00
      3  -0.117368D+01 -0.867271D-01 -0.201332D+01 -0.257131D+00  0.109460D+01
                56            57            58            59            60 
      1   0.388138D+00  0.109460D+01  0.103126D+01 -0.229051D+01 -0.278982D+01
      2  -0.235992D+01 -0.333751D+01 -0.229051D+01 -0.338349D+01 -0.121343D+01
      3  -0.333751D+01  0.178628D+01 -0.278982D+01 -0.121343D+01  0.136217D+00
                61            62            63            64            65 
      1   0.110939D+01 -0.354208D+01  0.237606D+01 -0.227042D+01 -0.370691D+01
      2  -0.354208D+01 -0.174108D+01 -0.791536D+00 -0.370691D+01  0.199060D+00
      3   0.237606D+01 -0.791536D+00  0.335664D+00 -0.783751D+00 -0.149937D+01
                66            67            68            69            70 
      1  -0.783751D+00 -0.403462D+01 -0.745836D+00 -0.162409D+01 -0.505739D+00
      2  -0.149937D+01 -0.745836D+00  0.251485D+01 -0.171419D+01 -0.177079D+01
      3  -0.132366D+01 -0.162409D+01 -0.171419D+01  0.408288D+01 -0.204577D+01
                71            72            73            74            75 
      1  -0.177079D+01 -0.204577D+01  0.395407D+00  0.232121D+00 -0.105199D+01
      2  -0.185675D+01  0.418791D+01  0.232121D+00 -0.190505D+00 -0.470703D-01
      3   0.418791D+01  0.177765D+01 -0.105199D+01 -0.470703D-01 -0.256589D+00
                76            77            78            79            80 
      1  -0.239215D-01  0.248193D+00  0.315592D+00 -0.134152D+01  0.719225D-01
      2   0.248193D+00 -0.744817D+00 -0.892008D+00  0.719225D-01 -0.992029D+00
      3   0.315592D+00 -0.892008D+00 -0.185287D+01  0.109907D+01 -0.497075D+00
                81            82            83            84            85 
      1   0.109907D+01  0.864389D+01  0.328261D+01 -0.115764D+01  0.269565D+01
      2  -0.497075D+00  0.328261D+01  0.255673D+01 -0.702204D+00  0.191048D+01
      3  -0.811628D+01 -0.115764D+01 -0.702204D+00  0.107039D+01 -0.478119D+00
                86            87            88            89            90 
      1   0.191048D+01 -0.478119D+00  0.488764D+00  0.124435D+00  0.111229D+01
      2   0.203318D+01 -0.187950D+00  0.124435D+00  0.665106D+00  0.292434D+00
      3  -0.187950D+00  0.279067D+00  0.111229D+01  0.292434D+00 -0.617294D+00
                91            92            93            94            95 
      1   0.277546D+01 -0.181956D+01 -0.129941D+01 -0.304349D+01  0.314923D+01
      2  -0.181956D+01  0.196162D+01  0.305109D+01  0.314923D+01  0.294079D+01
      3  -0.129941D+01  0.305109D+01 -0.303184D+01  0.401097D+01  0.111654D+01
                96            97            98            99           100 
      1   0.401097D+01 -0.314183D+00  0.327981D+01 -0.337398D+01  0.239363D+01
      2   0.111654D+01  0.327981D+01  0.196894D+01 -0.587917D-01 -0.152586D+01
      3  -0.908336D+00 -0.337398D+01 -0.587917D-01 -0.148212D+01 -0.412860D+00
               101           102           103           104           105 
      1  -0.152586D+01 -0.412860D+00 -0.150978D+01  0.409771D+01  0.306757D+01
      2   0.294679D+01  0.249197D+01  0.409771D+01  0.116470D+01  0.183161D+01
      3   0.249197D+01 -0.329214D+01  0.306757D+01  0.183161D+01 -0.441204D+00
               106           107           108           109           110 
      1  -0.140480D+01  0.352590D+01 -0.337463D+01 -0.518751D+00 -0.303445D+01
      2   0.352590D+01  0.129593D+01 -0.426681D+00 -0.303445D+01 -0.156495D+01
      3  -0.337463D+01 -0.426681D+00  0.111523D+01  0.177599D+00 -0.410578D+01
               111           112           113           114           115 
      1   0.177599D+00 -0.317343D+01 -0.162030D+01 -0.402054D+01  0.560279D+00
      2  -0.410578D+01 -0.162030D+01  0.374422D+00 -0.197926D+01 -0.376369D+01
      3  -0.614249D+00 -0.402054D+01 -0.197926D+01  0.301082D+01 -0.870948D+00
               116           117           118           119           120 
      1  -0.376369D+01 -0.870948D+00 -0.403071D+01  0.197520D+01  0.219141D+01
      2  -0.104352D+01  0.355428D+01  0.197520D+01 -0.230224D+01 -0.155068D+01
      3   0.355428D+01 -0.751217D+00  0.219141D+01 -0.155068D+01 -0.178558D+01
               121           122           123           124           125 
      1   0.166329D+01 -0.226424D+01 -0.157017D+01  0.196392D+01 -0.163762D+01
      2  -0.226424D+01  0.398706D+01  0.194445D+01 -0.163762D+01  0.194890D+01
      3  -0.157017D+01  0.194445D+01  0.193888D+01 -0.201446D+01  0.232937D+01
               126           127           128           129           130 
      1  -0.201446D+01  0.150842D+01  0.184072D+01  0.128008D+00  0.147698D+01
      2   0.232937D+01  0.184072D+01  0.290584D+01  0.626517D+00  0.216741D+01
      3   0.353380D+01  0.128008D+00  0.626517D+00  0.245899D+00  0.409704D+00
               131           132           133           134           135 
      1   0.216741D+01  0.409704D+00  0.524814D+00  0.970701D+00  0.184032D+00
      2   0.941840D+01  0.122992D+01  0.970701D+00  0.283017D+01  0.159458D+01
      3   0.122992D+01  0.105287D+01  0.184032D+00  0.159458D+01  0.956055D+00
               136           137           138           139           140 
      1  -0.296058D+01  0.123167D+01 -0.179309D+01  0.585023D+00 -0.107347D+01
      2   0.123167D+01 -0.175508D+01  0.147446D+01 -0.107347D+01  0.275848D+01
      3  -0.179309D+01  0.147446D+01 -0.194272D+01  0.873113D+00 -0.142627D+01
               141           142           143           144           145 
      1   0.873113D+00 -0.204181D+01  0.126561D+01 -0.192093D+01 -0.397988D-01
      2  -0.142627D+01  0.126561D+01 -0.213671D+01  0.216481D+01 -0.450488D+00
      3   0.129640D+01 -0.192093D+01  0.216481D+01 -0.376266D+01  0.709548D+00
               146           147           148           149           150 
      1  -0.450488D+00  0.709548D+00 -0.108764D+01  0.141543D+01 -0.418802D+00
      2  -0.302785D+00  0.178395D+00  0.141543D+01 -0.552193D+01  0.272530D+01
      3   0.178395D+00 -0.128751D+00 -0.418802D+00  0.272530D+01 -0.258405D+01
               151           152           153           154           155 
      1   0.144681D+01 -0.794894D+00  0.954278D+00  0.838787D+01  0.161987D+01
      2  -0.794894D+00  0.324068D+01 -0.295030D+01  0.161987D+01  0.120477D+01
      3   0.954278D+00 -0.295030D+01  0.300192D+01  0.150830D+01  0.361507D+00
               156           157           158           159           160 
      1   0.150830D+01  0.411959D+01  0.145695D+01  0.770673D+00  0.190696D+01
      2   0.361507D+00  0.145695D+01  0.150950D+01  0.555112D+00  0.414212D+00
      3   0.125659D+01  0.770673D+00  0.555112D+00  0.437499D+00  0.173210D+01
               161           162           163           164           165 
      1   0.414212D+00  0.173210D+01  0.169969D+01 -0.581954D+00 -0.130923D+01
      2   0.637919D+00 -0.104838D+00 -0.581954D+00  0.643006D+00  0.844537D+00
      3  -0.104838D+00  0.754766D+00 -0.130923D+01  0.844537D+00  0.110686D+01
               166           167           168           169           170 
      1  -0.100347D+01  0.144293D+01  0.102961D+01 -0.300226D+01  0.179344D+01
      2   0.144293D+01 -0.263405D+01 -0.145932D+01  0.179344D+01 -0.222432D+01
      3   0.102961D+01 -0.145932D+01 -0.202676D+01  0.222497D+01 -0.249088D+01
               171           172           173           174           175 
      1   0.222497D+01  0.164800D+01  0.211254D+00  0.116185D+01  0.119906D+00
      2  -0.249088D+01  0.211254D+00  0.646427D+00 -0.853328D+00  0.273354D-01
      3  -0.487520D+01  0.116185D+01 -0.853328D+00  0.226488D+01 -0.552858D+00
               176           177           178           179           180 
      1   0.273354D-01 -0.552858D+00  0.155012D+01 -0.270580D+00  0.107487D+01
      2  -0.121287D+01  0.116043D+01 -0.270580D+00  0.117925D+01 -0.155042D+01
      3   0.116043D+01 -0.122592D+01  0.107487D+01 -0.155042D+01  0.633363D+01
               181           182           183           184           185 
      1  -0.249700D+01 -0.174014D+01  0.101184D-02 -0.257814D+01 -0.323677D+01
      2  -0.174014D+01 -0.206117D+01 -0.399060D+00 -0.323677D+01 -0.635049D+01
      3   0.101184D-02 -0.399060D+00 -0.906100D-01 -0.199523D+00 -0.169866D+00
               186           187           188           189           190 
      1  -0.199523D+00 -0.118306D+01 -0.109823D+01 -0.135927D+00 -0.744878D+01
      2  -0.169866D+00 -0.109823D+01 -0.148433D+01 -0.756663D+00  0.160461D+01
      3  -0.113219D+01 -0.135927D+00 -0.756663D+00 -0.660749D+00  0.256445D+01
               191           192           193           194           195 
      1   0.160461D+01  0.256445D+01  0.371216D+01 -0.196376D+01 -0.173775D+01
      2  -0.153080D+01 -0.676703D+00 -0.196376D+01  0.143869D+01  0.595381D+00
      3  -0.676703D+00 -0.165236D+01 -0.173775D+01  0.595381D+00  0.154272D+01
               196           197           198           199           200 
      1   0.166259D+01 -0.777771D+00 -0.142542D+01  0.166871D+01  0.845638D+00
      2  -0.777771D+00  0.180885D+00  0.590242D+00  0.845638D+00  0.490921D+00
      3  -0.142542D+01  0.590242D+00  0.168186D+01 -0.730946D+00 -0.699722D+00
               201           202           203           204           205 
      1  -0.730946D+00  0.998331D+00  0.958988D-01 -0.353129D+00 -0.115188D+01
      2  -0.699722D+00  0.958988D-01  0.126811D+01 -0.145314D+01 -0.669185D+00
      3   0.215159D+01 -0.353129D+00 -0.145314D+01  0.169568D+01  0.832508D+00
               206           207           208           209           210 
      1  -0.669185D+00  0.832508D+00 -0.671983D+01  0.285485D+01 -0.246120D+00
      2  -0.149971D+01  0.173762D+01  0.285485D+01 -0.241723D+01 -0.103338D+00
      3   0.173762D+01 -0.571391D+01 -0.246120D+00 -0.103338D+00 -0.741001D+00
               211           212           213           214           215 
      1   0.386179D+01 -0.313631D+01 -0.100062D-01  0.160866D+01 -0.843645D+00
      2  -0.313631D+01  0.303579D+01 -0.317487D+00 -0.843645D+00  0.504520D+00
      3  -0.100062D-01 -0.317487D+00  0.945061D+00 -0.510127D+00  0.623408D+00
               216           217           218           219           220 
      1  -0.510127D+00 -0.334992D+01 -0.158819D+01 -0.136054D+01 -0.310783D+01
      2   0.623408D+00 -0.158819D+01 -0.179295D+01 -0.103465D+01 -0.268231D+01
      3   0.389551D+00 -0.136054D+01 -0.103465D+01 -0.785016D+00 -0.191448D+01
               221           222           223           224           225 
      1  -0.268231D+01 -0.191448D+01 -0.110617D+01 -0.115338D+01 -0.102872D+01
      2  -0.387721D+01 -0.169210D+01 -0.115338D+01 -0.119093D+01 -0.129348D+01
      3  -0.169210D+01 -0.218033D+01 -0.102872D+01 -0.129348D+01 -0.187978D+01
               226           227           228           229           230 
      1  -0.969932D+00 -0.425828D+00  0.106610D+01 -0.718201D+00  0.716963D-02
      2  -0.425828D+00 -0.138694D+00  0.603933D+00  0.716963D-02 -0.236243D+01
      3   0.106610D+01  0.603933D+00 -0.500984D+00  0.502508D+00  0.232001D+01
               231           232           233           234           235 
      1   0.502508D+00  0.108045D+01  0.396937D+00 -0.195129D+00  0.444405D+01
      2   0.232001D+01  0.396937D+00  0.151278D+01 -0.225745D+01  0.240826D+01
      3  -0.334402D+01 -0.195129D+00 -0.225745D+01  0.630300D+01  0.233880D+01
               236           237           238           239           240 
      1   0.240826D+01  0.233880D+01  0.267216D+01  0.230283D+01  0.191969D+01
      2   0.201943D+01  0.180675D+01  0.230283D+01  0.356082D+01  0.216876D+01
      3   0.180675D+01  0.239827D+01  0.191969D+01  0.216876D+01  0.189480D+01
               241           242           243 
      1   0.127779D+01  0.118337D+01  0.184733D+01
      2   0.118337D+01  0.130914D+01  0.122864D+01
      3   0.184733D+01  0.122864D+01  0.288831D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.356885D+00  0.273121D+01  0.499205D+00  0.709772D+00  0.221604D+01
      2  -0.296135D+01 -0.976742D-01  0.120375D+02  0.189553D+01  0.256427D+01
      3  -0.546707D+01 -0.707507D+01 -0.115839D+00  0.366984D+01  0.620950D+01
                 6             7             8             9            10 
      1  -0.508842D+01  0.153465D+01  0.203260D+01 -0.543988D+00  0.547791D+01
      2  -0.660745D+01 -0.516565D+00 -0.108615D+02 -0.462425D+01 -0.158492D+01
      3  -0.265920D+01 -0.390487D+01 -0.788608D+01  0.521959D+01  0.840430D+01
                11            12            13            14            15 
      1  -0.214117D+01 -0.173779D+01 -0.177766D+01  0.138424D+01 -0.163583D+01
      2  -0.370492D+00  0.335200D+01 -0.425993D+01 -0.190165D+01  0.647099D+01
      3  -0.562863D+01 -0.150006D+01 -0.254540D+01 -0.354468D+01  0.389124D+01
                16            17            18            19            20 
      1  -0.906747D+00  0.464972D+01 -0.874224D+01  0.114850D+00 -0.125279D+01
      2  -0.394793D+01  0.881862D+01  0.106105D+02  0.289091D+01  0.448396D+01
      3  -0.294685D+00  0.887146D+01 -0.514449D+01  0.234380D+01 -0.159376D+00
                21            22            23            24            25 
      1  -0.141214D+01  0.124523D+01 -0.700355D+01  0.580888D+01 -0.109161D+01
      2  -0.662166D+01  0.106043D+02 -0.116497D+01  0.293660D+01 -0.218807D+02
      3  -0.351525D+01  0.808550D+01 -0.355259D+01  0.100967D+01 -0.957890D+01
                26            27            28            29            30 
      1   0.901997D+01  0.861081D+01 -0.190529D+00  0.594038D+00 -0.723299D-01
      2   0.396736D+01  0.203359D+01 -0.125909D+01 -0.196988D+01  0.344094D+01
      3   0.625962D+00 -0.115648D+01 -0.919867D+00  0.130213D+01  0.239247D+01
                31            32            33            34            35 
      1  -0.558202D+00  0.387752D+01 -0.991968D+01 -0.298560D-03  0.202550D-01
      2  -0.910030D+01  0.200139D+00  0.204404D+01  0.194564D+01  0.730733D-01
      3   0.114372D+02  0.250365D+01  0.147862D+01  0.906897D+01  0.100522D+01
                36            37            38            39            40 
      1  -0.680282D+01  0.539390D+00 -0.217492D+01  0.292543D+01 -0.809498D+00
      2   0.704509D+00  0.114520D+01  0.312193D+01  0.158775D+01  0.679258D+01
      3   0.119164D+01 -0.119271D+01 -0.122432D+02 -0.451433D+01 -0.224980D+01
                41            42            43            44            45 
      1  -0.138031D+01 -0.644124D+01  0.202623D+01  0.329023D+01 -0.275280D+00
      2   0.402866D+01 -0.510883D+01 -0.861855D+01  0.930826D+00 -0.160837D+01
      3  -0.145160D+01 -0.473654D+01 -0.642255D+01 -0.161710D+01  0.431204D+00
                46            47            48            49            50 
      1   0.384554D+01 -0.500419D+01  0.543785D+01 -0.564033D+01  0.238403D-01
      2   0.191872D+01 -0.215085D+01  0.563611D+01 -0.459718D+01 -0.152443D+01
      3  -0.254879D+01 -0.216844D+01 -0.601328D+00  0.556891D+01  0.489372D+01
                51            52            53            54            55 
      1  -0.238280D+00  0.595920D+01  0.804141D+01 -0.860838D+00 -0.458947D+01
      2  -0.374519D+01 -0.236421D+01 -0.480296D+01 -0.454767D+00 -0.980770D+00
      3   0.635097D+01  0.549954D+00  0.661867D+01 -0.197843D+01  0.394388D+00
                56            57            58            59            60 
      1   0.121308D+02 -0.485153D+01  0.110468D+02  0.594976D+01 -0.251636D+01
      2   0.493880D+00  0.335922D+01  0.958746D+00 -0.113339D+01 -0.202396D+01
      3  -0.164535D+01  0.338795D+01  0.659990D+01 -0.618196D+01 -0.918144D+01
                61            62            63            64            65 
      1  -0.649368D+01  0.532503D+01 -0.175200D+01 -0.864426D+00 -0.247043D+01
      2  -0.103637D+01 -0.249338D+01  0.242078D+01 -0.102582D+01 -0.410338D+01
      3   0.347078D+01 -0.111892D+02  0.801399D+01  0.150512D+02  0.187209D+01
                66            67            68            69            70 
      1  -0.193195D+01 -0.251282D+01 -0.199018D+01  0.378606D+01 -0.508533D+01
      2  -0.133986D+01 -0.554198D+01 -0.447835D+01  0.117761D+02 -0.962747D+01
      3   0.598481D+01  0.110392D+02 -0.802808D+01  0.721419D+01  0.618179D+01
                71            72            73            74            75 
      1   0.868099D+01  0.304525D+01  0.100146D+01  0.715076D+00  0.459323D+00
      2   0.127806D+02  0.527464D+01 -0.286858D+01 -0.307946D+00 -0.144045D+01
      3   0.690377D+01 -0.106323D+02 -0.749369D+00 -0.133662D+00 -0.896643D+00
                76            77            78            79            80 
      1  -0.174709D+00  0.306906D+01  0.211139D+01 -0.137703D+01  0.498001D+01
      2  -0.675558D+00 -0.173441D+01 -0.351619D+01 -0.265689D+01 -0.959030D+00
      3   0.476193D+00  0.199526D+01  0.134644D+01 -0.110231D+01  0.196091D+01
                81            82            83            84            85 
      1   0.994094D+01 -0.159407D+01 -0.197552D+01 -0.137975D+01 -0.152872D+01
      2  -0.138732D+02  0.556333D+01 -0.131887D+00  0.387083D+01  0.274495D+01
      3   0.199896D+01  0.395610D+01 -0.502238D+01  0.564082D+00  0.119828D+01
                86            87            88            89            90 
      1  -0.163419D+01 -0.134127D+01 -0.942479D+00 -0.287413D+00  0.514940D+00
      2   0.157777D+01  0.435405D+00  0.902200D+00 -0.658421D+00 -0.526851D+00
      3  -0.215275D+01 -0.437293D+00  0.495666D-01 -0.190043D+01  0.445142D+00
                91            92            93            94            95 
      1  -0.352274D+01  0.641364D+01  0.394098D+00  0.844759D+01  0.739492D+01
      2   0.127499D+00 -0.643768D+01  0.113823D+02 -0.940418D+01 -0.673554D+01
      3  -0.691035D+01  0.397741D+01  0.948126D+01  0.108900D+02  0.629611D+01
                96            97            98            99           100 
      1  -0.664313D+00  0.161244D+01  0.489160D+01 -0.387898D+01  0.113720D+01
      2  -0.888560D+00  0.761988D+01 -0.466426D+01  0.109562D+02  0.425354D+01
      3   0.988826D+00  0.102341D+02  0.159630D+01  0.293445D+01 -0.308344D+01
               101           102           103           104           105 
      1  -0.432667D+01 -0.397927D+01 -0.719734D+01 -0.209504D+01 -0.569101D+01
      2  -0.811344D+01  0.110360D+02 -0.890205D+01 -0.164820D+01  0.552135D+01
      3   0.608227D+01  0.698828D+01  0.143193D+02  0.339231D+01  0.684625D+01
               106           107           108           109           110 
      1  -0.498564D+01 -0.110919D+01  0.221495D+00 -0.659215D+01  0.203755D+00
      2   0.650801D+01  0.484732D+01 -0.836362D+01 -0.347707D+01 -0.341653D+00
      3   0.104882D+02  0.418838D+01 -0.210949D+01  0.331772D+01 -0.474546D+01
               111           112           113           114           115 
      1  -0.799186D+01 -0.338094D+00 -0.608482D+00 -0.998951D+01 -0.665014D+01
      2  -0.841035D+00  0.136250D+01 -0.183345D+01  0.105461D+02 -0.521965D+01
      3   0.263802D+01  0.132875D+01 -0.359919D+01 -0.328540D+00  0.378693D+01
               116           117           118           119           120 
      1  -0.232364D+01  0.603335D+01 -0.156158D+01 -0.677199D+00  0.209988D+01
      2   0.106818D+02 -0.145820D+01  0.341522D+01 -0.106572D+01  0.839739D+00
      3  -0.747254D+00 -0.388829D+01 -0.596862D+01 -0.800172D+00  0.231174D+01
               121           122           123           124           125 
      1   0.285082D+00  0.160510D+01 -0.274761D+01  0.149629D+01  0.920378D-01
      2  -0.112332D+01  0.961016D+00 -0.862833D+00 -0.282248D+01  0.221348D+00
      3   0.297003D+01  0.256634D-01 -0.111908D+01  0.302117D+01 -0.197843D+00
               126           127           128           129           130 
      1  -0.386984D+01 -0.881785D+00 -0.347895D+01 -0.154948D+01 -0.229143D+01
      2  -0.913455D+00  0.563861D+00  0.589440D+00  0.143266D+01  0.377612D+00
      3  -0.145849D+01  0.428975D+01  0.257340D+01  0.347975D+00  0.574970D+01
               131           132           133           134           135 
      1  -0.715563D+01 -0.611799D+01 -0.512626D+00 -0.406193D+01 -0.409420D+01
      2   0.112024D+01  0.112390D+01 -0.331244D+00  0.734961D+00 -0.147484D+00
      3   0.293087D+01  0.934562D+00  0.203736D+01  0.173947D+01 -0.192520D+00
               136           137           138           139           140 
      1   0.490040D+01 -0.200925D+01  0.565173D+01 -0.143517D+01  0.205203D+01
      2  -0.368795D+01  0.721216D+00 -0.983994D+00  0.768532D+00 -0.121630D+01
      3  -0.100865D+02  0.154488D+01 -0.491680D+01  0.262830D+01 -0.244114D+01
               141           142           143           144           145 
      1  -0.326583D+01  0.521800D+01 -0.211633D+01  0.961063D+01  0.715609D+00
      2   0.193390D+00 -0.454416D+01  0.112558D+01 -0.175245D+01  0.211166D+01
      3   0.277548D+01 -0.702624D+01  0.340684D+01 -0.563724D+01  0.193002D+01
               146           147           148           149           150 
      1  -0.544825D-01 -0.382358D+00 -0.325015D+00  0.164711D+01 -0.503000D+01
      2   0.212497D+00 -0.598167D-01  0.992203D-01  0.715874D+01 -0.753499D+01
      3   0.501797D+00 -0.136345D+01 -0.130106D+00  0.143876D+02 -0.761675D+01
               151           152           153           154           155 
      1   0.595283D+00 -0.170341D+01  0.439620D+01  0.206869D+01  0.130677D+01
      2   0.185458D-01 -0.787489D+01  0.826926D+01  0.251224D+01  0.826065D+00
      3  -0.780184D+00 -0.882509D+01  0.775086D+01 -0.130576D+02 -0.821780D+01
               156           157           158           159           160 
      1   0.952816D+00  0.117315D+01  0.135267D+01 -0.408158D+00  0.182068D+01
      2   0.550308D+01  0.150054D+01  0.132786D+01  0.213039D+01  0.310759D+01
      3  -0.292375D+01 -0.689946D+01 -0.748043D+01 -0.243292D+01 -0.333906D+01
               161           162           163           164           165 
      1   0.980173D+00  0.562975D+00 -0.195792D+01  0.115442D+01  0.195270D+01
      2  -0.367636D+00  0.218447D+01 -0.395073D+01  0.288136D+01  0.426385D+01
      3  -0.304774D+01 -0.132724D+01  0.277192D+00 -0.189977D+01 -0.720012D+00
               166           167           168           169           170 
      1   0.163202D+01 -0.160901D+01 -0.433671D+01  0.299111D+01 -0.163620D+01
      2   0.248825D+01 -0.437847D+01 -0.660181D+01  0.390190D+01 -0.709034D+01
      3  -0.125774D+01  0.629551D+01  0.324858D+01 -0.476752D+00  0.541468D+01
               171           172           173           174           175 
      1  -0.788650D+01  0.250211D+01  0.111386D+01  0.175569D+01 -0.342115D+00
      2  -0.148380D+02 -0.858830D+01  0.109762D+01 -0.701943D+01  0.157683D+01
      3   0.527344D+01 -0.317764D+01  0.471128D+00 -0.352101D+01  0.116602D+01
               176           177           178           179           180 
      1  -0.896953D+00 -0.582149D+00  0.132086D+01  0.229402D+01  0.482513D+01
      2  -0.272563D+01  0.329384D+01 -0.891513D+01  0.359358D+01 -0.167393D+02
      3  -0.253881D+01  0.299398D+01 -0.347863D+01  0.252822D+01 -0.546994D+01
               181           182           183           184           185 
      1  -0.262853D+01 -0.343507D+01 -0.125301D+01 -0.463052D+01 -0.913760D+01
      2   0.281414D+01  0.305301D+01  0.117086D+01  0.353266D+01  0.476651D+01
      3  -0.142092D+01 -0.443312D+01 -0.100648D+01 -0.300090D+01 -0.136620D+02
               186           187           188           189           190 
      1  -0.434120D+01 -0.111526D+01 -0.215363D+01 -0.285902D+01  0.412955D+01
      2   0.426260D+01  0.154553D+00  0.294506D+01  0.222140D+01  0.252195D+01
      3  -0.546969D+00 -0.810527D+00 -0.319152D+01 -0.210704D+01  0.814585D+01
               191           192           193           194           195 
      1  -0.376017D+01 -0.161458D+01 -0.356761D+01  0.291101D+01  0.376091D+00
      2  -0.601616D+00  0.328453D+01  0.182886D+00  0.713377D+00 -0.349788D+01
      3  -0.735887D+01 -0.335202D+01 -0.496818D+01  0.572807D+01  0.161971D+01
               196           197           198           199           200 
      1  -0.235419D+01  0.166554D+01  0.208930D+01 -0.190397D+01 -0.198034D+01
      2  -0.259774D+00 -0.223755D+00 -0.280389D+01  0.741759D+01  0.367534D+01
      3  -0.328070D+01  0.177280D+01  0.233817D+01  0.338260D+01  0.128148D+01
               201           202           203           204           205 
      1   0.493800D+00 -0.106029D+01 -0.259879D+01  0.797074D+00  0.143258D+01
      2  -0.594171D+01  0.389127D+01  0.454515D+01 -0.518263D+01 -0.746047D+01
      3  -0.216192D+01  0.238705D+01  0.370915D+01 -0.386524D+01 -0.298502D+01
               206           207           208           209           210 
      1   0.415861D+01 -0.792156D+00 -0.341734D+01  0.321398D+01  0.166655D+01
      2  -0.604235D+01  0.151743D+02 -0.557140D+01  0.347317D+01  0.383248D+01
      3  -0.375780D+01  0.471066D+01  0.464054D+01 -0.727323D+01 -0.387540D+00
               211           212           213           214           215 
      1   0.375070D+01 -0.356284D+01 -0.169691D+01  0.977568D+00  0.110448D+00
      2   0.368539D+01 -0.196043D+01 -0.423656D+01  0.777228D+00 -0.178995D+01
      3  -0.512757D+01  0.816457D+01 -0.806825D+00 -0.168739D+01  0.172794D+01
               216           217           218           219           220 
      1  -0.138341D+01  0.273390D+01  0.334789D+01  0.120373D+01  0.393010D+01
      2  -0.203916D+01 -0.720976D+00  0.622874D+00  0.143271D+01  0.454520D+00
      3   0.145895D+01 -0.418871D+01 -0.619235D+01 -0.298588D+01 -0.505257D+01
               221           222           223           224           225 
      1   0.740327D+01  0.698598D+00  0.220690D+01  0.320341D+01  0.174227D+01
      2   0.137590D+01  0.442358D+01 -0.185665D+00  0.153686D+01  0.366286D+01
      3  -0.119470D+02 -0.447059D+01 -0.309336D+01 -0.402525D+01 -0.361262D+01
               226           227           228           229           230 
      1  -0.167702D+01 -0.173936D+01  0.181343D+01 -0.469165D+00 -0.689147D+01
      2   0.435762D+01  0.227521D+01 -0.187516D+01  0.437982D+01  0.275038D+01
      3   0.421195D+00 -0.158118D+00 -0.153266D+00  0.220537D+01  0.269549D+01
               231           232           233           234           235 
      1   0.473242D+01  0.134892D+01  0.700509D+01 -0.698655D+01  0.257183D+01
      2  -0.510213D+01 -0.496607D+01 -0.350530D+01  0.635523D+01 -0.511471D+01
      3  -0.213046D+01 -0.796735D+00 -0.100421D+01  0.248343D+01  0.205560D+01
               236           237           238           239           240 
      1   0.355505D+01  0.849818D+00  0.261648D+01  0.524614D+01  0.766038D+00
      2  -0.140402D+01  0.163650D+01 -0.369167D+01 -0.654789D+00 -0.249325D+00
      3  -0.202926D+01  0.113213D+00  0.174437D+01 -0.248604D+01 -0.542714D+00
               241           242           243 
      1   0.113573D+01  0.252822D+01 -0.439679D+00
      2  -0.181446D+01 -0.108439D+01  0.451335D+00
      3   0.169085D+00 -0.971079D+00  0.464048D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.128086D+02  0.622458D+01 -0.138849D+01  0.125354D+02  0.588392D+00
      2  -0.832302D+01 -0.357302D+01 -0.246097D+01 -0.845296D+01  0.474104D+01
      3  -0.448560D+01 -0.265156D+01  0.384946D+01 -0.408242D+01 -0.532943D+01
      4   0.112285D+02  0.173145D+01  0.148033D+01  0.622159D+00 -0.610742D+01
      5  -0.136941D+01  0.402949D+01  0.850606D+01  0.657467D+01  0.848498D+01
      6  -0.127921D+01  0.165364D+01  0.516296D+01  0.365039D+01  0.693060D+01
                 6             7             8             9            10 
      1   0.360730D+01  0.274887D+01  0.623004D+01  0.742321D+01 -0.182581D+02
      2   0.332417D+00 -0.224244D+01  0.116354D+00 -0.155606D+01  0.172791D+01
      3  -0.393972D+01 -0.506434D+00 -0.634640D+01 -0.586715D+01  0.165302D+02
      4   0.469759D+01  0.472133D+01  0.688598D+01 -0.123643D+02 -0.236853D+02
      5  -0.661215D+01  0.555921D+01 -0.127655D+02 -0.165226D+01  0.784269D+01
      6  -0.188050D+01 -0.326580D+01 -0.379219D+01 -0.101189D+01  0.664757D+01
                11            12            13            14            15 
      1  -0.162719D+02  0.514458D+00 -0.175680D+02 -0.447034D+01  0.781605D+01
      2   0.126678D+02  0.282205D+01  0.114531D+02 -0.191398D+01  0.624391D+00
      3   0.360410D+01 -0.333651D+01  0.611483D+01  0.638432D+01 -0.844044D+01
      4  -0.115817D+02  0.251723D+01 -0.107223D+02  0.474821D+01 -0.466995D+01
      5   0.852757D+01  0.185143D+01  0.596890D+01 -0.720661D+01  0.777011D+01
      6   0.570694D+01 -0.131932D+01  0.681910D+00 -0.680681D+01  0.558380D+01
                16            17            18            19            20 
      1  -0.570923D+01  0.403660D+01  0.593842D+01 -0.180224D+02 -0.221610D+00
      2   0.340042D+01  0.531632D+00  0.139518D+02  0.115324D+02 -0.286228D+01
      3   0.230882D+01 -0.456823D+01 -0.198902D+02  0.649006D+01  0.308389D+01
      4  -0.255931D+01 -0.614274D+01  0.810762D+01 -0.163187D+01 -0.260541D+01
      5   0.159093D+01  0.101685D+02  0.844817D+01  0.974478D+00 -0.136874D+01
      6   0.252258D+01  0.829549D+01 -0.761216D+00  0.124909D+01 -0.248304D+01
                21            22            23            24            25 
      1  -0.854183D+00 -0.233675D+01  0.173157D+02  0.675958D+01 -0.270873D+01
      2   0.628769D+00  0.551440D+00 -0.248068D+02 -0.169529D+01  0.329707D+01
      3   0.225414D+00  0.178531D+01  0.749113D+01 -0.506429D+01 -0.588347D+00
      4   0.217478D+00 -0.607876D+01  0.315785D+01 -0.139593D+00 -0.499887D+01
      5  -0.589534D+01 -0.734967D+01 -0.362124D+01  0.206010D+01 -0.140533D+01
      6  -0.663268D+00 -0.409329D+00 -0.173437D+02 -0.105975D+02 -0.435827D+00
                26            27            28            29            30 
      1   0.821207D+01  0.282505D+01  0.193641D+01 -0.113538D+01 -0.905830D+00
      2  -0.135659D+02 -0.580537D+01  0.280631D+01  0.167782D+01  0.232339D+00
      3   0.535386D+01  0.298032D+01 -0.474272D+01 -0.542449D+00  0.673492D+00
      4  -0.386682D+00  0.239624D+01  0.658872D+00  0.129805D+02  0.353233D+01
      5   0.158172D+01 -0.559058D+00 -0.169637D-01  0.318840D+01  0.722347D+01
      6  -0.345723D+01 -0.107590D+02  0.462134D+01  0.697533D+00  0.135264D+01
                31            32            33            34            35 
      1   0.945259D+00 -0.418071D+02 -0.147710D+02  0.513759D+00 -0.167558D+02
      2  -0.327378D+00  0.620054D+02  0.117273D+02 -0.821888D+00  0.126324D+02
      3  -0.617881D+00 -0.201983D+02  0.304370D+01  0.308130D+00  0.412338D+01
      4   0.138859D+02 -0.126952D+00 -0.633978D+00  0.426402D+01 -0.786088D+00
      5   0.402452D+01  0.160452D+01  0.141630D+01  0.786252D+01  0.217127D+01
      6  -0.505471D-01  0.286467D+02  0.228230D+02  0.970099D+00  0.249768D+02
                36            37            38            39            40 
      1  -0.180677D+02  0.106834D+02  0.212660D+01  0.101071D+01 -0.444249D+01
      2   0.758945D+01 -0.351211D+01 -0.152881D+01  0.849995D+00  0.531602D+01
      3   0.104783D+02 -0.717131D+01 -0.597788D+00 -0.186071D+01 -0.873527D+00
      4  -0.216702D+00 -0.322697D+01  0.750421D+01  0.105031D+02  0.498969D+01
      5   0.257836D+01 -0.418231D+01  0.915546D+01 -0.855615D+01  0.142959D+02
      6   0.228338D+02  0.414328D+01 -0.672947D+00 -0.685352D+01  0.143849D+01
                41            42            43            44            45 
      1   0.870946D+01  0.111799D+02 -0.826774D+00  0.122733D+02 -0.132768D+02
      2  -0.476681D+01 -0.103080D+02 -0.447520D+00 -0.938688D+01  0.925327D+01
      3  -0.394266D+01 -0.871895D+00  0.127429D+01 -0.288639D+01  0.402350D+01
      4  -0.721125D+00  0.471537D+01  0.143082D+02  0.146491D+01 -0.393349D+01
      5   0.442193D+01 -0.823480D+01 -0.163990D+02 -0.188372D+01 -0.877377D+00
      6   0.233648D-01 -0.215357D+01 -0.447332D+01 -0.200094D+01  0.576382D+01
                46            47            48            49            50 
      1  -0.963113D+00 -0.618975D+01 -0.862331D+01 -0.815141D+01 -0.487820D+01
      2   0.450740D+01  0.260186D+01  0.121395D+02  0.285615D+01  0.454391D+01
      3  -0.354429D+01  0.358789D+01 -0.351623D+01  0.529526D+01  0.334287D+00
      4   0.521717D+01 -0.525551D+01 -0.681499D+01 -0.617828D+01  0.510219D+01
      5   0.225432D+01 -0.193147D+01 -0.677536D+01 -0.298614D+01  0.406456D+01
      6  -0.393450D+01  0.151092D+02  0.582345D+01  0.123296D+02 -0.232141D+01
                51            52            53            54            55 
      1  -0.201177D+01 -0.850164D+01 -0.414488D+01  0.448517D+01 -0.694095D+00
      2   0.444680D+01  0.115068D+02  0.693538D+01 -0.550341D+01  0.196582D+01
      3  -0.243503D+01 -0.300512D+01 -0.279051D+01  0.101824D+01 -0.127173D+01
      4   0.816685D+01 -0.105282D+02  0.968178D+01  0.383735D+01  0.628018D+00
      5   0.512734D+01 -0.401301D+01  0.518533D+01  0.171096D+01 -0.161862D+01
      6  -0.618815D+01  0.633003D+01 -0.747619D+01 -0.432460D+01  0.374815D+01
                56            57            58            59            60 
      1   0.895388D+01  0.106174D+02  0.108345D+02  0.113017D+02  0.291106D+01
      2  -0.179844D+02 -0.154911D+02 -0.161622D+02 -0.236082D+02 -0.924220D+01
      3   0.903053D+01  0.487367D+01  0.532770D+01  0.123065D+02  0.633113D+01
      4  -0.507965D+01  0.335821D+01 -0.248562D+01 -0.116272D+02 -0.923665D+01
      5  -0.118442D+01 -0.341422D+01 -0.235412D+01 -0.294654D+01  0.191516D+01
      6  -0.157343D+02  0.982172D+01 -0.108572D+02 -0.788264D+01 -0.111256D+01
                61            62            63            64            65 
      1   0.113288D+02  0.552819D+01  0.166734D+01 -0.226804D+02 -0.216120D+02
      2  -0.158119D+02 -0.139943D+02 -0.184401D+01  0.189992D+02  0.118304D+02
      3   0.448309D+01  0.846612D+01  0.176671D+00  0.368119D+01  0.978159D+01
      4   0.510493D+01 -0.133864D+02  0.586010D+01 -0.212696D+02  0.375918D+01
      5  -0.389455D+01  0.195998D+01 -0.393311D+01 -0.710436D+01 -0.105684D+02
      6   0.100907D+02 -0.507930D+01  0.424103D+01 -0.275001D+01  0.387394D+01
                66            67            68            69            70 
      1  -0.887818D+01 -0.298119D+02  0.469300D+01 -0.153390D+02 -0.813032D+01
      2   0.734845D+01  0.170160D+02 -0.537068D+01  0.114096D+02  0.598750D+01
      3   0.152973D+01  0.127959D+02  0.677680D+00  0.392936D+01  0.214282D+01
      4  -0.795041D+01 -0.955692D+00  0.988826D+01 -0.491614D+01 -0.949861D+01
      5  -0.781174D+01 -0.133294D+02 -0.780027D+01  0.204394D+02 -0.127574D+02
      6   0.186344D+01  0.198767D+01  0.715662D+01 -0.143627D+02  0.764878D+01
                71            72            73            74            75 
      1  -0.152522D+02  0.256592D+00  0.157733D+01  0.200781D+01 -0.364831D+01
      2   0.116606D+02 -0.658658D+01 -0.408370D+01 -0.204278D+01  0.111461D+01
      3   0.359153D+01  0.632999D+01  0.250637D+01  0.349646D-01  0.253370D+01
      4  -0.440982D+01  0.216698D+02  0.225743D+01  0.141090D+01 -0.126435D+01
      5   0.219261D+02  0.109539D+02 -0.344176D+01 -0.300594D+00  0.529101D+01
      6  -0.159049D+02 -0.291491D+01 -0.135741D+01  0.227494D+00 -0.617894D+00
                76            77            78            79            80 
      1   0.763100D+00 -0.181776D+01 -0.172080D+01 -0.173616D+01  0.303477D+00
      2   0.494786D+00 -0.188616D+01 -0.599357D+01  0.509623D+01 -0.404783D+01
      3  -0.125789D+01  0.370393D+01  0.771437D+01 -0.336007D+01  0.374435D+01
      4   0.248180D+01 -0.225976D+01 -0.212370D+01 -0.170352D+01 -0.246618D+01
      5   0.157109D+01 -0.208422D+01 -0.547207D+01  0.876204D+01 -0.156000D+01
      6  -0.761229D+00  0.172450D+01  0.391975D+01  0.121601D+01  0.482912D+01
                81            82            83            84            85 
      1  -0.163496D+02  0.409120D+02  0.108985D+02 -0.336069D+01  0.894052D+01
      2  -0.231405D+02 -0.165073D+02 -0.144903D+01  0.291648D+01  0.377156D+00
      3   0.394900D+02 -0.244047D+02 -0.944944D+01  0.444213D+00 -0.931768D+01
      4   0.149010D+00  0.332936D+02  0.195216D+02 -0.538641D+01  0.182612D+02
      5  -0.217604D+02 -0.163885D+02 -0.748406D+01  0.885962D+01 -0.527722D+01
      6  -0.919040D+01 -0.779838D+01 -0.580424D+01  0.451180D+01 -0.414762D+01
                86            87            88            89            90 
      1   0.493455D+01 -0.139000D+01  0.334803D+01 -0.212640D+00  0.287998D+01
      2   0.391045D+01  0.215242D+00  0.429699D+00  0.106783D+01 -0.411688D+01
      3  -0.884500D+01  0.117476D+01 -0.377773D+01 -0.855185D+00  0.123691D+01
      4   0.145238D+02 -0.228123D+01  0.822948D+00  0.199016D+01  0.390614D+01
      5  -0.303982D+01  0.237385D+01  0.696151D+01  0.197235D+01 -0.340730D+01
      6  -0.383641D+01  0.278777D+01  0.339361D+01  0.171400D+01 -0.118476D+01
                91            92            93            94            95 
      1  -0.169237D+02  0.837776D+01  0.167282D+02  0.148717D+02 -0.115770D+02
      2   0.117287D+02 -0.150648D+02 -0.550902D+01 -0.234015D+02 -0.430599D+01
      3   0.519495D+01  0.668705D+01 -0.112192D+02  0.852979D+01  0.158830D+02
      4   0.863958D+01 -0.909915D+01 -0.117412D+02 -0.120037D+02 -0.161861D+02
      5   0.136244D+02 -0.171463D+02  0.490932D+01 -0.244295D+02 -0.183785D+01
      6  -0.672087D+01  0.558216D-01  0.125598D+02 -0.743443D+00  0.437726D+00
                96            97            98            99           100 
      1  -0.171633D+02  0.138197D+02 -0.143040D+02  0.190119D+02 -0.140949D+02
      2   0.778043D+01 -0.447477D+01  0.329573D+01 -0.463559D+01  0.839880D+00
      3   0.938286D+01 -0.934488D+01  0.110083D+02 -0.143764D+02  0.132550D+02
      4  -0.886177D+01 -0.161382D+02 -0.105096D+02  0.703144D+01  0.113793D+02
      5   0.118335D+02  0.961014D+01  0.645741D+01 -0.164616D+01  0.406588D-01
      6   0.342480D+01  0.128821D+02  0.202168D+01  0.189516D+01 -0.242507D+00
               101           102           103           104           105 
      1   0.124893D+02 -0.362102D+01  0.147353D+02 -0.173004D+02 -0.158344D+02
      2   0.183836D+01 -0.492846D+01  0.460536D+00  0.103277D+02  0.568398D+01
      3  -0.143277D+02  0.854948D+01 -0.151958D+02  0.697271D+01  0.101504D+02
      4  -0.193467D+02 -0.112781D+02 -0.250746D+02 -0.284589D+01 -0.786698D+01
      5  -0.905237D+01  0.120283D+02 -0.119416D+02 -0.130437D+02 -0.430275D+01
      6  -0.613304D+01 -0.640815D+01 -0.986451D+01 -0.407001D+01 -0.582128D+01
               106           107           108           109           110 
      1   0.122346D+01 -0.184515D+02  0.191989D+02 -0.231661D+00  0.357019D+01
      2  -0.688609D+01  0.753654D+01 -0.720636D+01 -0.430093D+01  0.498995D+01
      3   0.566263D+01  0.109150D+02 -0.119926D+02  0.453259D+01 -0.856015D+01
      4  -0.168456D+02 -0.354507D+01 -0.260694D+01 -0.677720D+01 -0.563315D+01
      5   0.160915D+02 -0.580615D+01  0.408321D+01 -0.331792D+01 -0.132868D+02
      6  -0.934413D+01 -0.344209D+01  0.108648D+01 -0.746610D+01 -0.105862D+02
               111           112           113           114           115 
      1   0.483491D+01  0.115289D+01  0.590724D+00 -0.986949D+01  0.510465D+01
      2  -0.536795D+01  0.620782D+01  0.220530D+01 -0.568803D+01 -0.621354D+01
      3   0.533043D+00 -0.736071D+01 -0.279602D+01  0.155575D+02  0.110889D+01
      4  -0.805120D+01 -0.791196D+01 -0.253414D+01 -0.640378D+01 -0.695559D+01
      5  -0.275082D+01 -0.134237D+02 -0.792971D+01 -0.553614D+01 -0.422421D+01
      6  -0.117005D+02 -0.938729D+01 -0.427755D+01 -0.572990D+01 -0.786859D+01
               116           117           118           119           120 
      1  -0.993115D+01 -0.345251D+01  0.351487D+01  0.236382D+01  0.160272D+01
      2  -0.528397D+01  0.475277D+01 -0.132599D+01 -0.469464D+01 -0.945217D-01
      3   0.152151D+02 -0.130026D+01 -0.218888D+01  0.233082D+01 -0.150820D+01
      4  -0.497376D+01  0.346213D+01 -0.150186D+02  0.126427D+02  0.925710D+01
      5  -0.167340D+01 -0.922823D+00 -0.116247D+02  0.726239D+01  0.105287D+02
      6  -0.320780D+01  0.702700D+01  0.103706D+02 -0.931165D+01 -0.911825D+01
               121           122           123           124           125 
      1   0.387443D+01 -0.993135D+01 -0.589749D+01  0.260996D+01 -0.619468D+01
      2  -0.596599D+01  0.140037D+02  0.462938D+01 -0.445211D+00  0.297568D+01
      3   0.209156D+01 -0.407232D+01  0.126811D+01 -0.216475D+01  0.321900D+01
      4   0.110303D+02 -0.137981D+02 -0.802697D+01  0.812061D+01 -0.802144D+01
      5   0.605530D+01 -0.739145D+01 -0.595754D+01  0.958384D+01 -0.687901D+01
      6  -0.928292D+01  0.151078D+02  0.127755D+02 -0.956801D+01  0.137478D+02
               126           127           128           129           130 
      1  -0.861635D+01 -0.222426D+01 -0.719269D+01 -0.134254D+01 -0.556074D+01
      2  -0.107770D+00  0.890952D+01  0.178591D+02  0.335368D+01  0.130639D+02
      3   0.872412D+01 -0.668525D+01 -0.106664D+02 -0.201113D+01 -0.750312D+01
      4  -0.927435D+01  0.958060D+01  0.155491D+02  0.170861D+01  0.111470D+02
      5  -0.102627D+02  0.543647D+00  0.819265D+00  0.285453D+01  0.156292D+00
      6   0.162812D+02  0.120597D+01  0.300676D+01  0.179774D+01  0.234389D+01
               131           132           133           134           135 
      1  -0.330159D+02 -0.429431D+01 -0.246273D+01 -0.968733D+01 -0.589123D+01
      2   0.639395D+02  0.843431D+01  0.478296D+01  0.181915D+02  0.861751D+01
      3  -0.309236D+02 -0.414000D+01 -0.232023D+01 -0.850417D+01 -0.272628D+01
      4   0.190671D+02  0.330065D+01  0.328367D+01  0.629274D+01  0.287233D+01
      5   0.244865D+01  0.129526D+01  0.250712D+01  0.228350D+01  0.168617D+01
      6   0.752717D+01  0.841973D+01  0.168733D+01  0.119159D+02  0.638631D+01
               136           137           138           139           140 
      1  -0.536159D+00  0.565862D+01 -0.466655D+01  0.278094D+01 -0.100507D+02
      2   0.152752D+01 -0.773385D+01  0.461713D+01 -0.416074D+01  0.147285D+02
      3  -0.991365D+00  0.207524D+01  0.494164D-01  0.137980D+01 -0.467781D+01
      4  -0.113366D+02  0.850999D+01 -0.714688D+01  0.603694D+01 -0.520753D+01
      5   0.724293D+01 -0.323930D+01  0.595967D+01 -0.183093D+01  0.375904D+01
      6  -0.893676D+01  0.948728D+01 -0.102774D+02  0.668429D+01 -0.101860D+02
               141           142           143           144           145 
      1   0.584838D+01 -0.472203D+01  0.923524D+01 -0.105431D+02  0.665252D+00
      2  -0.581065D+01  0.318829D+01 -0.823119D+01  0.340610D+01  0.285342D+00
      3  -0.377249D-01  0.153374D+01 -0.100405D+01  0.713697D+01 -0.950594D+00
      4   0.509091D+01 -0.763176D+01  0.618214D+01 -0.713615D+01 -0.114799D+01
      5  -0.237240D+01  0.705923D+01 -0.319475D+01  0.561448D+01  0.357670D+01
      6   0.101101D+02 -0.986802D+01  0.151499D+02 -0.203024D+02 -0.264707D+01
               146           147           148           149           150 
      1  -0.337727D+01  0.531574D+01 -0.253737D+01 -0.111933D+02  0.809484D+01
      2   0.211116D+01 -0.260931D+01 -0.160531D+01  0.204133D+02 -0.882840D+01
      3   0.126611D+01 -0.270643D+01  0.414268D+01 -0.921997D+01  0.733559D+00
      4   0.345911D+01 -0.201774D+01  0.115026D+02 -0.262930D+02  0.123474D+02
      5  -0.946967D+00  0.215608D+01 -0.359195D+01  0.135699D+02 -0.136937D+02
      6  -0.996287D+00  0.703074D+00  0.282388D+01 -0.162112D+02  0.139006D+02
               151           152           153           154           155 
      1   0.631899D+01  0.802225D+01 -0.759831D+01  0.644673D+02  0.122434D+02
      2  -0.266802D+01 -0.901032D+01  0.389461D+01 -0.378007D+02 -0.821406D+01
      3  -0.365097D+01  0.988074D+00  0.370370D+01 -0.266665D+02 -0.402938D+01
      4  -0.690832D+01  0.151812D+02 -0.134630D+02  0.384543D+01  0.882631D+01
      5   0.812135D+01 -0.152606D+02  0.149268D+02  0.150686D+02  0.323595D+01
      6  -0.388036D+01  0.155295D+02 -0.143123D+02 -0.877363D+00  0.429455D+00
               156           157           158           159           160 
      1   0.104926D+02  0.285913D+02  0.979809D+01  0.513703D+01  0.133162D+02
      2  -0.751869D+01 -0.172091D+02 -0.594514D+01 -0.454757D+01 -0.954608D+01
      3  -0.297390D+01 -0.113821D+02 -0.385295D+01 -0.589459D+00 -0.377009D+01
      4   0.121867D+01  0.940429D+01  0.101431D+02  0.303355D+01  0.130724D+01
      5   0.115004D+02  0.728535D+01  0.431802D+01  0.455919D+01  0.145974D+02
      6  -0.130312D+01  0.485974D+00  0.403457D+00  0.207419D+01 -0.160070D+01
               161           162           163           164           165 
      1   0.348636D+01  0.843860D+01  0.107455D+02 -0.230049D+01 -0.572588D+01
      2  -0.336756D+01 -0.627189D+01 -0.545760D+01 -0.334352D+00  0.206422D+01
      3  -0.118805D+00 -0.216671D+01 -0.528787D+01  0.263484D+01  0.366167D+01
      4   0.358298D+01 -0.770170D+00 -0.610375D+01  0.648008D+01  0.743103D+01
      5   0.673507D+00  0.654025D+01 -0.803319D+01  0.620347D+01  0.954031D+01
      6   0.305361D+01 -0.521935D-01  0.459333D+01 -0.289914D+01 -0.353962D+01
               166           167           168           169           170 
      1  -0.221293D+01 -0.254195D+00  0.169939D+01 -0.123868D+02  0.352981D+01
      2  -0.205335D+01  0.636373D+01  0.182338D+01  0.562397D+01  0.141178D+01
      3   0.426628D+01 -0.610954D+01 -0.352276D+01  0.676286D+01 -0.494159D+01
      4   0.113617D+02 -0.156874D+02 -0.927582D+01  0.142111D+02 -0.140497D+02
      5   0.713388D+01 -0.839505D+01 -0.119689D+02  0.160046D+02 -0.143963D+02
      6  -0.407808D+01  0.658176D+01  0.993970D+01 -0.728248D+01  0.111384D+02
               171           172           173           174           175 
      1   0.159460D+01 -0.609203D+01  0.195549D+01 -0.112422D+02  0.379787D+00
      2  -0.328718D+01 -0.133164D+00 -0.257895D+00  0.554514D-01  0.128566D+01
      3   0.169258D+01  0.622519D+01 -0.169759D+01  0.111867D+02 -0.166545D+01
      4  -0.147129D+02 -0.311198D+01 -0.340110D+00  0.610318D+00  0.241996D+01
      5  -0.287999D+02  0.151107D+01  0.265908D+01 -0.191193D+01  0.160913D+01
      6   0.156697D+02 -0.153089D+01  0.395448D+01 -0.614540D+01  0.171650D+01
               176           177           178           179           180 
      1  -0.493978D+01  0.803380D+01 -0.987316D+01  0.762293D+01 -0.245482D+02
      2   0.236039D+01 -0.216831D+01  0.192028D+01 -0.111426D+01 -0.833954D+01
      3   0.257938D+01 -0.586548D+01  0.795288D+01 -0.650868D+01  0.328878D+02
      4   0.349479D+01 -0.219585D+01 -0.135012D+01 -0.265338D+01  0.230804D+01
      5  -0.252445D+01  0.194154D+01  0.363016D+01  0.396598D+01 -0.165531D+02
      6  -0.580439D+01  0.862231D+01 -0.281919D+01  0.897468D+01 -0.154439D+02
               181           182           183           184           185 
      1   0.121326D+02  0.649184D+01 -0.562801D+00  0.817148D+01  0.182460D+01
      2  -0.147041D+01  0.362245D+01  0.105916D+01  0.559927D+01  0.200319D+02
      3  -0.106621D+02 -0.101143D+02 -0.496360D+00 -0.137708D+02 -0.218565D+02
      4   0.131811D+02  0.159150D+02  0.226620D+01  0.219005D+02  0.343702D+02
      5  -0.309065D+01  0.133913D+00  0.275353D+01 -0.140044D+01 -0.168854D+01
      6  -0.139072D+01 -0.278271D+01  0.637030D-01 -0.441134D+01 -0.890725D+01
               186           187           188           189           190 
      1   0.261661D+01  0.417260D+01  0.351062D+01 -0.925898D+00  0.467300D+02
      2   0.181531D+01  0.859662D-01  0.340473D+01  0.227583D+01 -0.313209D+02
      3  -0.443192D+01 -0.425856D+01 -0.691535D+01 -0.134993D+01 -0.154091D+02
      4   0.135077D+01  0.745374D+01  0.812412D+01  0.373605D+01 -0.561634D+01
      5   0.549005D+01  0.174800D+01  0.319624D+01  0.397591D+01 -0.293332D+02
      6   0.463999D+01  0.144733D+00  0.256571D+01  0.136078D+01  0.336302D+01
               191           192           193           194           195 
      1  -0.103332D+02 -0.131839D+02 -0.204102D+02  0.939197D+01  0.608818D+01
      2   0.850878D+01  0.122060D+02  0.156683D+02 -0.500652D+01 -0.706455D+01
      3   0.182447D+01  0.977906D+00  0.474199D+01 -0.438545D+01  0.976376D+00
      4   0.961737D+01  0.230622D+01  0.108629D+02 -0.827113D+01 -0.274038D+01
      5   0.701426D+01  0.168116D+02  0.157645D+02 -0.676060D+01 -0.115244D+02
      6  -0.431012D+01 -0.152270D+01 -0.458209D+01  0.517057D+01  0.238721D+01
               196           197           198           199           200 
      1  -0.882438D+01  0.279969D+01  0.488821D+01 -0.646063D+01 -0.520429D+01
      2   0.994612D+01 -0.293569D+01 -0.860870D+01  0.223583D+01  0.156720D+01
      3  -0.112174D+01  0.136002D+00  0.372049D+01  0.422480D+01  0.363709D+01
      4   0.306708D+01 -0.114909D+01 -0.300155D+01 -0.706263D+00  0.140025D+01
      5   0.147256D+02 -0.511013D+01 -0.122121D+02 -0.257439D+01  0.444181D+00
      6  -0.234504D+01  0.216454D+01  0.816466D+00 -0.211821D+01 -0.198108D+01
               201           202           203           204           205 
      1   0.826299D+01 -0.578252D+01 -0.475098D+01  0.762654D+01  0.754881D+01
      2   0.201529D+01  0.258691D+01  0.127831D+01  0.346567D+00 -0.135296D+01
      3  -0.102783D+02  0.319561D+01  0.347267D+01 -0.797310D+01 -0.619585D+01
      4   0.145709D+01  0.365973D+01 -0.338629D+01  0.472879D+01  0.785717D+00
      5  -0.276892D+01 -0.985364D+00  0.439982D+01 -0.501750D+01  0.309460D+01
      6   0.255942D+01 -0.634592D+00 -0.524412D+01  0.784132D+01  0.259871D+01
               206           207           208           209           210 
      1   0.900157D+01 -0.212546D+02  0.421976D+02 -0.162051D+02  0.212508D+00
      2  -0.694005D+00 -0.872554D+01 -0.172540D+02  0.364928D+01 -0.137046D+01
      3  -0.830756D+01  0.299802D+02 -0.249436D+02  0.125558D+02  0.115795D+01
      4   0.436504D+01 -0.494611D+01 -0.242511D+02  0.186757D+02  0.176435D+00
      5  -0.416031D+01  0.155860D+02  0.956057D+01 -0.311391D+01  0.668245D+01
      6   0.778204D+01 -0.100404D+02 -0.518659D+01  0.488289D+01 -0.125915D+01
               211           212           213           214           215 
      1  -0.213613D+02  0.127105D+02  0.152318D+01 -0.922946D+01  0.455805D+01
      2   0.526554D+01  0.484778D+00  0.135806D+01  0.321890D+01  0.957333D-01
      3   0.160957D+02 -0.131953D+02 -0.288123D+01  0.601056D+01 -0.465378D+01
      4   0.240707D+02 -0.212907D+02  0.138878D+01  0.562629D+01 -0.384482D+01
      5  -0.496467D+01  0.473268D+01 -0.567254D+01  0.421692D+01 -0.307616D+01
      6   0.603738D+01 -0.485589D+01  0.350012D+01 -0.619184D+00  0.194782D+01
               216           217           218           219           220 
      1   0.233640D+01  0.176686D+02  0.680212D+01  0.609633D+01  0.125710D+02
      2  -0.747165D+00 -0.102174D+02 -0.489404D+01 -0.500904D+01 -0.834675D+01
      3  -0.158924D+01 -0.745119D+01 -0.190808D+01 -0.108728D+01 -0.422427D+01
      4  -0.425949D+01  0.100347D+02  0.123978D+02  0.586935D+01  0.173468D+02
      5  -0.257303D+01  0.128154D+02  0.809606D+01  0.842240D+01  0.144040D+02
      6  -0.125774D+00  0.499048D+01  0.532562D+01  0.397619D+01  0.821446D+01
               221           222           223           224           225 
      1   0.726120D+01  0.416032D+01  0.405245D+01  0.262992D+01 -0.639975D-01
      2  -0.244032D+01 -0.602147D+01 -0.510257D+01 -0.398600D+01 -0.530252D+01
      3  -0.482089D+01  0.186115D+01  0.105012D+01  0.135608D+01  0.536652D+01
      4   0.211455D+02  0.889035D+01  0.641725D+01  0.601460D+01  0.722397D+01
      5   0.115831D+02  0.138905D+02  0.926571D+01  0.871715D+01  0.110047D+02
      6   0.125527D+02  0.819107D+01  0.499847D+01  0.652498D+01  0.542024D+01
               226           227           228           229           230 
      1  -0.113414D+01 -0.528472D+00  0.190191D+01 -0.121915D+01 -0.458810D+01
      2  -0.243374D+01 -0.140484D+01  0.198583D+01 -0.212356D+00 -0.345806D+01
      3   0.356788D+01  0.193331D+01 -0.388774D+01  0.143151D+01  0.804616D+01
      4   0.398708D+00  0.206954D+01  0.202354D+00  0.275944D+01 -0.244187D+01
      5  -0.132672D+01 -0.122868D+01  0.526202D+01 -0.234629D+01  0.251414D+01
      6  -0.134158D+01 -0.701794D-01  0.931888D+00  0.140716D+00 -0.852740D+01
               231           232           233           234           235 
      1   0.809922D+01  0.995701D+00  0.588708D+01 -0.164603D+02  0.818558D+01
      2   0.757018D+01  0.862778D+00  0.550798D+01 -0.175638D+02 -0.587957D+01
      3  -0.156694D+02 -0.185848D+01 -0.113951D+02  0.340241D+02 -0.230601D+01
      4   0.293523D+01 -0.417139D-01  0.157128D+01 -0.208509D+01  0.138596D+02
      5  -0.344316D+01  0.583531D+01 -0.117417D+01  0.593970D+01  0.180035D+02
      6   0.101435D+02  0.159524D+01  0.811643D+01 -0.722030D+01  0.106453D+02
               236           237           238           239           240 
      1   0.833835D+00 -0.716092D-01  0.343365D-01 -0.530645D+01 -0.348755D+01
      2  -0.109815D+01 -0.480695D+01  0.120774D+00  0.569444D+01  0.326116D+00
      3   0.264314D+00  0.487856D+01 -0.155111D+00 -0.387993D+00  0.316143D+01
      4   0.116331D+02  0.840591D+01  0.120992D+02  0.134630D+02  0.836282D+01
      5   0.109490D+02  0.146828D+02  0.113674D+02  0.103687D+02  0.969567D+01
      6   0.935384D+01  0.960046D+01  0.103113D+02  0.148784D+02  0.127010D+02
               241           242           243 
      1  -0.174799D+01 -0.251067D+01 -0.452201D+01
      2  -0.309151D+01 -0.323660D+00 -0.501870D+01
      3   0.483950D+01  0.283433D+01  0.954071D+01
      4   0.566561D+01  0.498793D+01  0.621008D+01
      5   0.102978D+02  0.700044D+01  0.117470D+02
      6   0.761146D+01  0.905484D+01  0.972871D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.482446D-01      0.122626D+00      0.409035D+00
   y          0.104100D+01      0.264595D+01      0.882594D+01
   z          0.510078D+00      0.129649D+01      0.432462D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121387D+03      0.179878D+02      0.200141D+02
   yx         0.337563D+00      0.500217D-01      0.556567D-01
   yy         0.111185D+03      0.164759D+02      0.183319D+02
   zx        -0.360708D+00     -0.534514D-01     -0.594727D-01
   zy         0.324921D+00      0.481483D-01      0.535723D-01
   zz         0.102705D+03      0.152193D+02      0.169338D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115171D+03      0.170666D+02      0.189892D+02
   aniso      0.161073D+02      0.238686D+01      0.265574D+01
   xx         0.124432D+03      0.184389D+02      0.205161D+02
   yx         0.319251D+00      0.473081D-01      0.526373D-01
   yy         0.115143D+03      0.170624D+02      0.189845D+02
   zx        -0.363690D+00     -0.538933D-01     -0.599644D-01
   zy         0.866560D+00      0.128411D+00      0.142876D+00
   zz         0.105939D+03      0.156986D+02      0.174670D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.37273059         -0.39284393         -0.14543919
     6          2.56748015          2.28375909          1.08094472
     6          0.04482988         -0.21999586         -1.83706040
     8          0.01351305         -0.13754316         -4.11284856
     6         -2.29178732         -0.13756716         -0.09791152
     6         -0.99941665         -0.17083076          2.54017956
     6          0.37571512          2.34619555          3.03171297
     6          4.73674481         -1.31377568         -1.45017344
     1          2.43759292          3.77861554         -0.33179074
     1          4.40761427          2.46296671          1.99351322
     6         -3.89509641         -2.52047651         -0.52525484
     6         -3.91720947          2.17972346         -0.68424940
     6          1.28076777         -1.92528972          2.08316302
     1         -2.28234483         -0.73311803          4.04964969
     1          1.11140923          2.37128634          4.95683675
     1         -0.83808699          3.99259598          2.82964710
     1          4.47330694         -3.21319829         -2.20875511
     1          6.32952772         -1.35221876         -0.13896163
     1          5.22174688         -0.08076998         -3.02958415
     1         -2.87559879         -4.25264349         -0.07910120
     1         -4.48924920         -2.62448519         -2.49517623
     1         -5.58118633         -2.44807464          0.66265947
     1         -2.84398557          3.93492834         -0.62574479
     1         -5.47351840          2.32845412          0.66386739
     1         -4.71206762          2.00619565         -2.57664805
     1          0.78429932         -3.85578962          1.56845689
     1          2.57389865         -1.98777706          3.68845341

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.116025D+01      0.294906D+01      0.983702D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121362D+03      0.179839D+02      0.200098D+02
   yx        -0.107125D+00     -0.158742D-01     -0.176625D-01
   yy         0.104084D+03      0.154237D+02      0.171611D+02
   zx         0.707298D+00      0.104811D+00      0.116618D+00
   zy         0.315101D+01      0.466931D+00      0.519531D+00
   zz         0.109832D+03      0.162754D+02      0.181088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115171D+03      0.170666D+02      0.189892D+02
   aniso      0.161073D+02      0.238686D+01      0.265574D+01
   xx         0.124409D+03      0.184356D+02      0.205123D+02
   yx        -0.113228D+00     -0.167786D-01     -0.186687D-01
   yy         0.107030D+03      0.158603D+02      0.176469D+02
   zx         0.638522D+00      0.946192D-01      0.105278D+00
   zy         0.310669D+01      0.460364D+00      0.512224D+00
   zz         0.114074D+03      0.169040D+02      0.188083D+02

 ----------------------------------------------------------------------
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 WE HAVE LEFT UNDONE THOSE THINGS WHICH WE OUGHT TO HAVE DONE,
 AND WE HAVE DONE THOSE THINGS WHICH WE OUGHT NOT TO HAVE DONE.
                   BOOK OF COMMON PRAYER                      
 Job cpu time:       0 days  6 hours  3 minutes 14.1 seconds.
 Elapsed time:       0 days  0 hours 30 minutes 21.6 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 19:56:39 2021.
